Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12499 | Target Info | |||
| Target Name | LCK tyrosine protein kinase (LCK) | ||||
| Synonyms | p56-LCK; Tyrosine-protein kinase Lck; T cell-specific protein-tyrosine kinase; Proto-oncogene tyrosine-protein kinase LCK; Proto-oncogene Lck; Protein YT16; Lymphocyte cell-specific protein-tyrosine kinase; Leukocyte C-terminal Src kinase; LSK; LCK p59-Fyn; LCK Protooncogene Syn | ||||
| Target Type | Successful Target | ||||
| Gene Name | LCK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Imatinib | Ligand Info | |||||
| Structure Description | LCK bound to imatinib | PDB:2PL0 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNEYTAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFF
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VAL259
3.821
ALA271
3.315
VAL272
4.009
LYS273
3.457
GLU288
2.862
LEU291
3.539
MET292
3.216
LEU295
4.375
LEU300
4.153
VAL301
3.270
ILE314
3.466
ILE315
4.729
THR316
2.735
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| Ligand Name: ISIS-CRP | Ligand Info | |||||
| Structure Description | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | PDB:1QPE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | PDB:1QPC | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:322 or .A:323 or .A:326 or .A:368 or .A:369 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | PDB:1QPC | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | PDB:1QPD | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
KPWWEDAWEV
240 PRETLKLVER250 LGAGQAGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DAETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STU or .STU2 or .STU3 or :3STU;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:273 or .A:288 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:368 or .A:369 or .A:371 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU251
3.359
GLY252
3.750
VAL259
3.747
ALA271
3.180
LYS273
3.648
GLU288
4.590
VAL301
4.343
THR316
3.256
GLU317
2.924
TYR318
3.482
MET319
2.763
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Lck inhibitor | Ligand Info | |||||
| Structure Description | X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | PDB:3BYO | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AM9 or .AM92 or .AM93 or :3AM9;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU251
3.504
GLY252
3.913
VAL259
3.386
ALA271
3.687
VAL272
4.395
LYS273
3.424
GLU288
2.929
MET292
4.918
VAL301
3.516
ILE314
3.790
THR316
2.726
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| Ligand Name: AP22408 | Ligand Info | |||||
| Structure Description | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | PDB:1FBZ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
EPEPWFFKNL
10 SRKDAERQLL20 APGNTHGSFL30 IRESESTAGS40 FCLSVRDFDQ50 NQGEVVKHYK 60 IRNLDNGGFY70 ISPRITFPGL80 HELVRHYTNA90 SDGLCTRLSR100 PCQT |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CC1 or .CC12 or .CC13 or :3CC1;style chemicals stick;color identity;select .A:12 or .A:32 or .A:34 or .A:35 or .A:36 or .A:37 or .A:42 or .A:57 or .A:58 or .A:59 or .A:60 or .A:71 or .A:72 or .A:87 or .A:92 or .A:93 or .A:94 or .A:95; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Myristic acid | Ligand Info | |||||
| Structure Description | Crystal structure of UNC119 in complex with LCK peptide | PDB:6H6A | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
GCGCSS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYR or .MYR2 or .MYR3 or :3MYR;style chemicals stick;color identity;select .E:501 or .E:502 or .E:503 or .E:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Cyclohexyl-1-propylsulfonic acid | Ligand Info | |||||
| Structure Description | Tyrosine-protein kinase LCK bound to Compound 11 | PDB:6PDJ | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [6] |
| PDB Sequence |
GHMQKPWWED
236 EWEVPRETLK246 LVERLGAGQF256 GEVWMGYYNG266 HTKVAVKSLK276 QGSMSPDAFL 286 AEANLMKQLQ296 HQRLVRLYAV306 VTQEPIYIIT316 EYMENGSLVD326 FLKTPSGIKL 336 TINKLLDMAA346 QIAEGMAFIE356 ERNYIHRDLR366 AANILVSDTL376 SCKIADFGLA 386 RLIEDNETAR397 EGAKFPIKWT407 APEAINYGTF417 TIKSDVWSFG427 ILLTEIVTHG 437 RIPYPGMTNP447 EVIQNLERGY457 RMVRPDNCPE467 ELYQLMRLCW477 KERPEDRPTF 487 DYLRSVLEDF497 FTA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CXS or .CXS2 or .CXS3 or :3CXS;style chemicals stick;color identity;select .A:240 or .A:264 or .A:268 or .A:270 or .A:302 or .A:304 or .A:305 or .A:315; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Tyrosine-protein kinase LCK bound to Compound 11 | PDB:6PDJ | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [6] |
| PDB Sequence |
GHMQKPWWED
236 EWEVPRETLK246 LVERLGAGQF256 GEVWMGYYNG266 HTKVAVKSLK276 QGSMSPDAFL 286 AEANLMKQLQ296 HQRLVRLYAV306 VTQEPIYIIT316 EYMENGSLVD326 FLKTPSGIKL 336 TINKLLDMAA346 QIAEGMAFIE356 ERNYIHRDLR366 AANILVSDTL376 SCKIADFGLA 386 RLIEDNETAR397 EGAKFPIKWT407 APEAINYGTF417 TIKSDVWSFG427 ILLTEIVTHG 437 RIPYPGMTNP447 EVIQNLERGY457 RMVRPDNCPE467 ELYQLMRLCW477 KERPEDRPTF 487 DYLRSVLEDF497 FTA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ODJ or .ODJ2 or .ODJ3 or :3ODJ;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:280 or .A:284 or .A:285 or .A:290 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:371 or .A:381 or .A:382 or .A:383 or .A:384; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU251
3.605
VAL259
3.921
ALA271
3.233
VAL272
4.153
LYS273
3.408
MET280
3.809
ALA284
4.178
PHE285
3.441
ASN290
3.298
MET292
4.131
VAL301
4.219
ILE314
3.644
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| Ligand Name: 3-(2,6-Dichlorophenyl)-7-({4-[2-(Diethylamino)ethoxy]phenyl}amino)-1-Methyl-3,4-Dihydropyrimido[4,5-D]pyrimidin-2(1h)-One | Ligand Info | |||||
| Structure Description | Structure of human LCK kinase with a small molecule inhibitor | PDB:3KMM | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [7] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LHL or .LHL2 or .LHL3 or :3LHL;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU251
3.724
VAL259
3.596
ALA271
3.333
VAL272
3.727
LYS273
3.587
GLU288
3.155
MET292
3.822
VAL301
4.413
ILE314
3.900
THR316
3.273
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| Ligand Name: 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide | Ligand Info | |||||
| Structure Description | The complex crystal structure of LCK with a probe molecule w259 | PDB:3KXZ | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [8] |
| PDB Sequence |
WEVPRETLKL
247 VERLGAGQFG257 EVWMGYYNGH267 TKVAVKSLKQ277 GSMSPDAFLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRDLRA367 ANILVSDTLS377 CKIADFGLAR387 LIEDNETARE 398 GAKFPIKWTA408 PEAINYGTFT418 IKSDVWSFGI428 LLTEIVTHGR438 IPYPGMTNPE 448 VIQNLERGYR458 MVRPDNCPEE468 LYQLMRLCWK478 ERPEDRPTFD488 YLRSVLEDFF 498 TAT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .925 or .9252 or .9253 or :3925;style chemicals stick;color identity;select .A:249 or .A:251 or .A:252 or .A:259 or .A:271 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU249
3.117
LEU251
3.189
GLY252
4.163
VAL259
3.416
ALA271
3.391
LYS273
3.312
GLU288
2.825
MET292
4.726
VAL301
4.557
ILE314
4.574
THR316
3.508
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| Ligand Name: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394) | PDB:3AC1 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [9] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KZI or .KZI2 or .KZI3 or :3KZI;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:368 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[4-(Benzyloxy)phenyl]-5-{[2-(4-Chlorophenyl)-2-Oxoethyl]sulfanyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One | Ligand Info | |||||
| Structure Description | Crystal structure of Triazolone derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AD5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [10] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 TE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5PB or .5PB2 or .5PB3 or :35PB;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:273 or .A:288 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-[(2-Amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AC2 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [11] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSE or .KSE2 or .KSE3 or :3KSE;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:273 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | Ligand Info | |||||
| Structure Description | Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:2ZM1 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSF or .KSF2 or .KSF3 or :3KSF;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.669
GLY252
4.436
VAL259
3.759
ALA271
3.237
VAL272
4.285
LYS273
3.680
GLU288
3.204
MET292
3.740
VAL301
3.828
ILE314
3.886
|
|||||
| Ligand Name: 7-[(Cyclopropylmethyl)amino]-2-[(4-Methoxyphenyl)amino]-5-Methylpyrazolo[1,5-A]pyrimidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of Pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AD6 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [13] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 TE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSC or .KSC2 or .KSC3 or :3KSC;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:322 or .A:323 or .A:368 or .A:369 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4-Chlorophenyl)(5-Methoxy-1-Benzofuran-2-Yl)methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of Methoxy Benzofuran Derivative bound to the Kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AD4 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [14] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KBM or .KBM2 or .KBM3 or :3KBM;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:273 or .A:288 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:371; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-(3,4-Dimethoxyphenyl)-5-(ethylthio)imidazo[1,2-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of imidazo pyrimidine derivative bound to the kinase domain of human LCK, (Auto-phosphorylated on TYR394) | PDB:3ACJ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSS or .KSS2 or .KSS3 or :3KSS;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[(2-Amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AC8 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSK or .KSK2 or .KSK3 or :3KSK;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:273 or .A:288 or .A:292 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:368 or .A:369 or .A:371 or .A:381 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.398
VAL259
4.100
ALA271
3.357
LYS273
3.079
GLU288
3.690
MET292
4.377
VAL301
3.982
THR316
3.315
GLU317
3.886
TYR318
3.568
MET319
2.841
|
|||||
| Ligand Name: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AC5 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [17] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KZM or .KZM2 or .KZM3 or :3KZM;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:368 or .A:371 or .A:381 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.320
GLY252
4.473
VAL259
3.763
ALA271
3.737
LYS273
3.964
GLU288
2.894
MET292
4.375
VAL301
4.602
ILE314
3.594
THR316
3.277
GLU317
3.041
TYR318
3.198
|
|||||
| Ligand Name: 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AC3 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [18] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSH or .KSH2 or .KSH3 or :3KSH;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | Ligand Info | |||||
| Structure Description | Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:2ZYB | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [12] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSL or .KSL2 or .KSL3 or :3KSL;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:315 or .A:316 or .A:317 or .A:318 or .A:319 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.846
GLY252
4.932
VAL259
3.812
ALA271
3.285
VAL272
4.144
LYS273
3.842
GLU288
3.463
MET292
4.054
VAL301
4.037
ILE314
3.847
ILE315
4.826
|
|||||
| Ligand Name: 6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine | Ligand Info | |||||
| Structure Description | Crystal structure of Pyrrolo pyrazine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3ACK | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [19] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSR or .KSR2 or .KSR3 or :3KSR;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(2-Amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | PDB:3AC4 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [20] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KZL or .KZL2 or .KZL3 or :3KZL;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:371; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | Ligand Info | |||||
| Structure Description | Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394) | PDB:2ZM4 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [12] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KSM or .KSM2 or .KSM3 or :3KSM;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:322 or .A:323 or .A:326 or .A:371 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
4.089
GLY252
4.679
VAL259
3.918
ALA271
3.618
VAL272
4.462
LYS273
3.434
GLU288
3.023
MET292
4.171
VAL301
3.289
ILE314
4.029
THR316
2.771
|
|||||
| Ligand Name: 3-(2-Aminoquinazolin-6-Yl)-4-Methyl-N-[3-(Trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | crystal structure of aminoquinazoline 1 bound to Lck | PDB:2OFV | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [21] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRDLRA367 ANILVSDTLS377 CKIADFGLAI404 KWTAPEAINY 414 GTFTIKSDVW424 SFGILLTEIV434 THGRIPYPGM444 TNPEVIQNLE454 RGYRMVRPDN 464 CPEELYQLMR474 LCWKERPEDR484 PTFDYLRSVL494 EDFF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .242 or .2422 or .2423 or :3242;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:291 or .A:292 or .A:295 or .A:300 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:322 or .A:355 or .A:360 or .A:362 or .A:371 or .A:380 or .A:381 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
4.011
VAL259
3.536
ALA271
3.443
VAL272
3.646
LYS273
3.533
GLU288
2.876
LEU291
3.741
MET292
3.636
LEU295
3.438
LEU300
3.518
VAL301
3.510
ILE314
3.624
THR316
3.309
|
|||||
| Ligand Name: 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide | Ligand Info | |||||
| Structure Description | co-crystal structure of Lck and aminopyrimidine amide 10b | PDB:3BYS | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [22] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLPIKW 406 TAPEAINYGT416 FTIKSDVWSF426 GILLTEIVTH436 GRIPYPGMTN446 PEVIQNLERG 456 YRMVRPDNCP466 EELYQLMRLC476 WKERPEDRPT486 FDYLRSVLED496 FFTAT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AM5 or .AM52 or .AM53 or :3AM5;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:291 or .A:292 or .A:295 or .A:300 or .A:301 or .A:314 or .A:315 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:355 or .A:360 or .A:362 or .A:371 or .A:380 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.782
VAL259
3.429
ALA271
3.270
VAL272
3.918
LYS273
3.411
GLU288
2.819
LEU291
4.222
MET292
3.535
LEU295
4.196
LEU300
3.635
VAL301
4.078
ILE314
3.550
ILE315
4.998
THR316
3.054
GLU317
3.220
|
|||||
| Ligand Name: 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | PDB:3BYU | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [22] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLKFPIK 405 WTAPEAINYG415 TFTIKSDVWS425 FGILLTEIVT435 HGRIPYPGMT445 NPEVIQNLER 455 GYRMVRPDNC465 PEELYQLMRL475 CWKERPEDRP485 TFDYLRSVLE495 DFFTAT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AM6 or .AM62 or .AM63 or :3AM6;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:295 or .A:300 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:326 or .A:355 or .A:360 or .A:362 or .A:371 or .A:380 or .A:381 or .A:382 or .A:383; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.738
VAL259
4.047
ALA271
3.266
VAL272
3.672
LYS273
3.550
GLU288
2.979
MET292
3.538
LEU295
3.639
LEU300
3.744
VAL301
3.742
ILE314
3.881
THR316
3.195
GLU317
3.175
TYR318
3.238
|
|||||
| Ligand Name: N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of pyrimidine amide 11 bound to Lck | PDB:3B2W | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [23] |
| PDB Sequence |
WEVPRETLKL
247 VERLGAGQFG257 EVWMGYYNGH267 TKVAVKSLKQ277 GSMSPDAFLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRDLRA367 ANILVSDTLS377 CKIADFGLAR387 LIEDNEYTAG 399 AKFPIKWTAP409 EAINYGTFTI419 KSDVWSFGIL429 LTEIVTHGRI439 PYPGMTNPEV 449 IQNLERGYRM459 VRPDNCPEEL469 YQLMRLCWKE479 RPEDRPTFDY489 LRSVLEDFFT 499 A
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NH or .9NH2 or .9NH3 or :39NH;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:291 or .A:292 or .A:295 or .A:300 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:355 or .A:371 or .A:380 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
4.216
VAL259
3.295
ALA271
3.411
VAL272
4.093
LYS273
3.613
GLU288
2.684
LEU291
4.335
MET292
3.639
LEU295
3.989
LEU300
3.261
VAL301
3.398
ILE314
3.501
THR316
2.517
|
|||||
| Ligand Name: 2,6-Dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-YL)propoxy)phenylamino)pyrimidin-4-YL(2,4-dimethoxyphenyl)carbamate | Ligand Info | |||||
| Structure Description | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | PDB:2OFU | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [24] |
| PDB Sequence |
PQKPWWEDEW
238 EVPRETLKLV248 ERLGAGQFGE258 VWMGYYNGHT268 KVAVKSLKQG278 SMSPDAFLAE 288 ANLMKQLQHQ298 RLVRLYAVVT308 QEPIYIITEY318 MENGSLVDFL328 KTPSGIKLTI 338 NKLLDMAAQI348 AEGMAFIEER358 NYIHRDLRAA368 NILVSDTLSC378 KIADFGLARL 388 IEDNETAREG399 AKFPIKWTAP409 EAINYGTFTI419 KSDVWSFGIL429 LTEIVTHGRI 439 PYPGMTNPEV449 IQNLERGYRM459 VRPDNCPEEL469 YQLMRLCWKE479 RPEDRPTFDY 489 LRSVLEDFFT499 AT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1N9 or .1N92 or .1N93 or :31N9;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:322 or .A:323 or .A:326 or .A:368 or .A:369 or .A:371 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.823
GLY252
4.348
VAL259
3.177
ALA271
3.509
VAL272
4.548
LYS273
3.534
GLU288
3.252
MET292
4.938
VAL301
4.484
ILE314
3.639
THR316
3.514
GLU317
3.019
|
|||||
| Ligand Name: N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine | Ligand Info | |||||
| Structure Description | X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | PDB:3BYM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AM0 or .AM02 or .AM03 or :3AM0;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:273 or .A:288 or .A:292 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:322 or .A:323 or .A:326 or .A:371 or .A:381 or .A:382 or .A:383; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.839
GLY252
4.354
VAL259
3.418
ALA271
3.475
LYS273
3.672
GLU288
3.245
MET292
3.624
VAL301
3.783
THR316
3.847
GLU317
3.127
|
|||||
| Ligand Name: 2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-B]pyridin-4-amine | Ligand Info | |||||
| Structure Description | crystal structure of furanopyrimidine 8 bound to lck | PDB:2OF2 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [25] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNEYTAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .547 or .5472 or .5473 or :3547;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:301 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:368 or .A:369 or .A:371 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,6-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-D]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | crystal structure of furanopyrimidine 1 bound to lck | PDB:2OF4 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [25] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNEYTAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .979 or .9792 or .9793 or :3979;style chemicals stick;color identity;select .A:251 or .A:252 or .A:259 or .A:271 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:368 or .A:369 or .A:371 or .A:381 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Phenyl-4-(5-Phenyl-1h-Pyrazol-4-Yl)pyrimidin-2-Amine | Ligand Info | |||||
| Structure Description | Structure of Lck in complex with a compound discovered by Virtual Fragment Linking | PDB:4C3F | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [26] |
| PDB Sequence |
WEVPRETLKL
247 VERLGAGQFG257 EVWMGYYNGH267 TKVAVKSLKQ277 GSMSPDAFLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRNLRA367 ANILVSDTLS377 CKIADFGLAR387 LIEDNEYTAR 397 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY441 PGMTNPEVIQ 451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR491 SVLEDFF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7KW or .7KW2 or .7KW3 or :37KW;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:315 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:371 or .A:381 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.700
VAL259
3.865
ALA271
3.393
VAL272
4.587
LYS273
3.769
GLU288
3.396
MET292
4.678
VAL301
4.619
ILE314
3.829
ILE315
4.956
|
|||||
| Ligand Name: N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide | Ligand Info | |||||
| Structure Description | crystal structure of aminoquinazoline 36 bound to Lck | PDB:2OG8 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [21] |
| PDB Sequence |
EWEVPRETLK
246 LVERLGAGQF256 GEVWMGYYNG266 HTKVAVKSLK276 QGSMSPDAFL286 AEANLMKQLQ 296 HQRLVRLYAV306 VTQEPIYIIT316 EYMENGSLVD326 FLKTPSGIKL336 TINKLLDMAA 346 QIAEGMAFIE356 ERNYIHRDLR366 AANILVSDTL376 SCKIADFGLP403 IKWTAPEAIN 413 YGTFTIKSDV423 WSFGILLTEI433 VTHGRIPYPG443 MTNPEVIQNL453 ERGYRMVRPD 463 NCPEELYQLM473 RLCWKERPED483 RPTFDYLRSV493 LEDFFT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1N8 or .1N82 or .1N83 or :31N8;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:291 or .A:292 or .A:295 or .A:300 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:322 or .A:355 or .A:360 or .A:371 or .A:380 or .A:381 or .A:382 or .A:383 or .A:384; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
4.235
VAL259
3.869
ALA271
3.409
VAL272
3.952
LYS273
3.474
GLU288
3.154
LEU291
4.008
MET292
3.601
LEU295
3.420
LEU300
3.513
VAL301
3.404
ILE314
3.877
THR316
3.323
|
|||||
| Ligand Name: (4-{2-Acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | PDB:1IJR | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [27] |
| PDB Sequence |
APEPWFFKNL
10 SRKDAERQLL20 APGNTHGSFL30 IRESESTAGS40 FCLSVRDFDQ50 NQGEVVKHYK 60 IRNLDNGGFY70 ISPRITFPGL80 HELVRHYTNA90 SDGLCTRLSR100 PCQT |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CC0 or .CC02 or .CC03 or :3CC0;style chemicals stick;color identity;select .A:12 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:42 or .A:57 or .A:58 or .A:59 or .A:60 or .A:62 or .A:71 or .A:72 or .A:74 or .A:87 or .A:92 or .A:93 or .A:94; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol | Ligand Info | |||||
| Structure Description | LCK complexed with a pyrazolopyrimidine | PDB:3MPM | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [28] |
| PDB Sequence |
WEVPRETLKL
247 VERLGAGQFG257 EVWMGYYNGH267 TKVAVKSLKQ277 GSMSPDAFLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRNLRA367 ANILVSDTLS377 CKIADFGLAR387 LIEDNEYTAR 397 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY441 PGMTNPEVIQ 451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR491 SVLEDFF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5LK or .5LK2 or .5LK3 or :35LK;style chemicals stick;color identity;select .A:251 or .A:259 or .A:271 or .A:272 or .A:273 or .A:288 or .A:292 or .A:301 or .A:314 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:321 or .A:322 or .A:323 or .A:371 or .A:381 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU251
3.703
VAL259
3.753
ALA271
3.324
VAL272
4.777
LYS273
3.599
GLU288
2.642
MET292
3.735
VAL301
4.670
ILE314
3.279
THR316
2.789
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: structure of lck/imatinib complex. Proteins. 2008 Mar;70(4):1451-60. | ||||
| REF 2 | Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors. Structure. 1999 Jun 15;7(6):651-61. | ||||
| REF 3 | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem. 2008 Mar 27;51(6):1637-48. | ||||
| REF 4 | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity. Proc Natl Acad Sci U S A. 2000 Aug 15;97(17):9373-8. | ||||
| REF 5 | The Ciliary Machinery Is Repurposed for T Cell Immune Synapse Trafficking of LCK. Dev Cell. 2018 Oct 8;47(1):122-132.e4. | ||||
| REF 6 | Discovery of Pyridazinone and Pyrazolo[1,5-a]pyridine Inhibitors of C-Terminal Src Kinase. ACS Med Chem Lett. 2019 Sep 25;10(10):1486-1491. | ||||
| REF 7 | Structure of human LCK kinase with a small molecule inhibitor | ||||
| REF 8 | Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance. J Med Chem. 2010 Feb 11;53(3):1238-49. | ||||
| REF 9 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 10 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 11 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 12 | The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase. Bioorg Med Chem. 2008 Dec 15;16(24):10311-8. | ||||
| REF 13 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 14 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 15 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 16 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 17 | Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 18 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 19 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 20 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 21 | Discovery of aminoquinazolines as potent, orally bioavailable inhibitors of Lck: synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem. 2006 Sep 21;49(19):5671-86. | ||||
| REF 22 | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J Med Chem. 2008 Mar 27;51(6):1681-94. | ||||
| REF 23 | N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Bioorg Med Chem Lett. 2008 Feb 1;18(3):1172-6. | ||||
| REF 24 | Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. J Med Chem. 2006 Aug 10;49(16):4981-91. | ||||
| REF 25 | Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: synthesis, SAR, and pharmacokinetic properties. Bioorg Med Chem Lett. 2007 Apr 15;17(8):2299-304. | ||||
| REF 26 | Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes. J Med Chem. 2013 Nov 14;56(21):8879-91. | ||||
| REF 27 | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain. Bioorg Med Chem Lett. 2001 Sep 3;11(17):2319-23. | ||||
| REF 28 | New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3628-31. | ||||
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