Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94119 | Target Info | |||
| Target Name | HUMAN PI3-kinase delta (PIK3CD) | ||||
| Synonyms | PtdIns-3-kinase subunit p110-delta; PtdIns-3-kinase subunit delta; Phosphoinositide 3-kinase delta; Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, delta isoform; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform; Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta; PI3Kdelta; PI3K-delta; PI3-kinase subunit delta; PI3-kinase p110 subunit delta; P110delta | ||||
| Gene Name | PIK3CD | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: GDC-0032 | Ligand Info | |||||
| Structure Description | p110delta/p85alpha with taselisib (GDC-0032) | PDB:5T8F | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [1] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPLPN 187 RALLVNVKFE197 GSEESFTFQV207 STKDVPLALM217 ACALRKKAEQ235 PEDYTLQVNG 245 RHEYLYGSYP255 LCQFQYICSC265 LHSGLTPHLT275 MVHSSSILAM285 RDEQSLWSLE 320 QPFRIELIQG330 SKVNADERMK340 LVVQAGLFHG350 NEMLCKTVSS360 SEVSVCSEPV 370 WKQRLEFDIN380 ICDLPRMARL390 CFALYAVIEK400 ADCPIAWANL423 MLFDYKDQLK 433 TGERCLYMWP443 SVPDEKGELL453 NPTGTVRSNP463 NTDSAAALLI473 CLPEVAPHPV 483 YYPALEKILE493 LGRHEEEQLQ510 LREILERYEH526 EKDLVWKLRH536 EVQEHFPEAL 546 ARLLLVTKWN556 KHEDVAQMLY566 LLCSWPELPV576 LSALELLDFS586 FPDCHVGSFA 596 IKSLRKLTDD606 ELFQYLLQLV616 QVLKYESYLD626 CELTKFLLDR636 ALANRKIGHF 646 LFWHLRSEMH656 VPSVALRFGL666 ILEAYCRGST676 HHMKVLMKQG686 EALSKLKALN 696 DFVKLSSQKT706 PKPQTKELMH716 LCMRQEAYLE726 ALSHLQSPLD736 PSTLLAEVCV 746 EQCTFMDSKM756 KPLWIMYSNE766 EAGSVGIIFK779 NGDDLRQDML789 TLQMIQLMDV 799 LWKQEGLDLR809 MTPYGCLPTG819 DRTGLIEVVL829 RSDTIANIQL839 NDALLNWLKS 861 KNPGEALDRA871 IEEFTLSCAG881 YCVATYVLGI891 GDRHSDNIMI901 RESGQLFHID 911 FGHFLGNERV930 PFILTYDFVH940 VIQQGKTNNS950 EKFERFRGYC960 ERAYTILRRH 970 GLLFLHLFAL980 MRAAGLPELS990 CSKDIQYLKD1000 SLALGKTEEE1010 ALKHFRVKFN 1020 EALRESWKTK1030 V
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|
|
MET752
4.059
SER754
4.834
PRO758
3.666
TRP760
3.643
ILE777
3.773
LYS779
3.207
LEU784
4.476
ASP787
3.631
TYR813
3.738
ILE825
3.477
GLU826
3.590
|
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| Ligand Name: PI3K-IN-9 | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | PDB:6OCU | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [2] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPRAL 190 LVNVKFEGSE200 ESFTFQVSTK210 DVPLALMACA220 LRKPEDYTLQ242 VNGRHEYLYG 252 SYPLCQFQYI262 CSCLHSGLTP272 HLTMVHSSSI282 LAMRDESVSL316 WSLEQPFRIE 326 LIQGSKVNAD336 ERMKLVVQAG346 LFHGNEMLCK356 TVSSSEVSVC366 SEPVWKQRLE 376 FDINICDLPR386 MARLCFALYA396 VIEDCPIAWA421 NLMLFDYKDQ431 LKTGERCLYM 441 WPSVPDEKGE451 LLNPTGTVRS461 NPNTDSAAAL471 LICLPEVAPH481 PVYYPALEKI 491 LELGRHSEEQ508 LQLREILERL523 YEHEKDLVWK533 LRHEVQEHFP543 EALARLLLVT 553 KWNKHEDVAQ563 MLYLLCSWPE573 LPVLSALELL583 DFSFPDCHVG593 SFAIKSLRKL 603 TDDELFQYLL613 QLVQVLKYES623 YLDCELTKFL633 LDRALANRKI643 GHFLFWHLRS 653 EMHVPSVALR663 FGLILEAYCR673 GSTHHMKVLM683 KQGEALSKLK693 ALNDFVKLSS 703 QKTPKPQTKE713 LMHLCMRQEA723 YLEALSHLQS733 PLDPSTLLAE743 VCVEQCTFMD 753 SKMKPLWIMY763 SNEEAGSVGI776 IFKNGDDLRQ786 DMLTLQMIQL796 MDVLWKQEGL 806 DLRMTPYGCL816 PTGDRTGLIE826 VVLRSDTIAN836 IQLDALLNWL859 KSKNPGEALD 869 RAIEEFTLSC879 AGYCVATYVL889 GIGDRHSDNI899 MIRESGQLFH909 IDFGHFLGNE 928 RVPFILTYDF938 VHVIQQGKTN948 NSEKFERFRG958 YCERAYTILR968 RHGLLFLHLF 978 ALMRAAGLPE988 LSCSKDIQYL998 KDSLALGKTE1008 EEALKHFRVK1018 FNEALRESWK 1028
|
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|
|
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| Ligand Name: N-[5-[6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 | PDB:7LQ1 | ||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | No | [3] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSLP 186 NRALLVNVKF196 EGSEESFTFQ206 VSTKDVPLAL216 MACALRKKAT226 LVEQPEDYTL 241 QVNGRHEYLY251 GSYPLCQFQY261 ICSCLHSGLT271 PHLTMVHSSS281 ILAMRDEQSN 291 PAPLWSLEQP322 FRIELIQGSK332 VNADERMKLV342 VQAGLFHGNE352 MLCKTVSSSE 362 VSVCSEPVWK372 QRLEFDINIC382 DLPRMARLCF392 ALYAVIEKDC416 PIAWANLMLF 426 DYKDQLKTGE436 RCLYMWPSVP446 DEKGELLNPT456 GTVRSNPNTD466 SAAALLICLP 476 EVAPHPVYYP486 ALEKILELGR496 HSECVHVTEE506 EQLQLREILE516 RLYEHEKDLV 531 WKLRHEVQEH541 FPEALARLLL551 VTKWNKHEDV561 AQMLYLLCSW571 PELPVLSALE 581 LLDFSFPDCH591 VGSFAIKSLR601 KLTDDELFQY611 LLQLVQVLKY621 ESYLDCELTK 631 FLLDRALANR641 KIGHFLFWHL651 RSEMHVPSVA661 LRFGLILEAY671 CRGSTHHMKV 681 LMKQGEALSK691 LKALNDFVKL701 SSQKTPKPQT711 KELMHLCMRQ721 EAYLEALSHL 731 QSPLDPSTLL741 AEVCVEQCTF751 MDSKMKPLWI761 MYSNEEAGSV774 GIIFKNGDDL 784 RQDMLTLQMI794 QLMDVLWKQE804 GLDLRMTPYG814 CLPTGDRTGL824 IEVVLRSDTI 834 ANIQLNKSNM844 AFNKDALLNW858 LKSKNPGEAL868 DRAIEEFTLS878 CAGYCVATYV 888 LGIGDRHSDN898 IMIRESGQLF908 HIDFGHFLGN918 FNRERVPFIL934 TYDFVHVIQQ 944 GKTNNSEKFE954 RFRGYCERAY964 TILRRHGLLF974 LHLFALMRAA984 GLPELSCSKD 994 IQYLKDSLAL1004 GKTEEEALKH1014 FRVKFNEALR1024 ESWKTKVNWL1034 |
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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 .YA7 or .YA72 or .YA73 or :3YA7;style chemicals stick;color identity;select .A:750 or .A:752 or .A:754 or .A:758 or .A:760 or .A:777 or .A:779 or .A:782 or .A:784 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR750
4.503
MET752
3.281
SER754
2.665
PRO758
3.372
TRP760
3.825
ILE777
3.784
LYS779
2.672
ASP782
4.578
LEU784
3.574
ASP787
3.599
TYR813
3.606
ILE825
3.568
|
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| Ligand Name: (2s)-2-({2-[1-(Propan-2-Yl)-1h-1,2,4-Triazol-5-Yl]-5,6-Dihydroimidazo[1,2-D][1,4]benzoxazepin-9-Yl}oxy)propanamide | Ligand Info | |||||
| Structure Description | p110delta/p85alpha with GDC-0326 | PDB:5DXU | ||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [4] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPLPN 187 RALLVNVKFE197 GSEESFTFQV207 STKDVPLALM217 ACALRKKAVE234 QPEDYTLQVN 244 GRHEYLYGSY254 PLCQFQYICS264 CLHSGLTPHL274 TMVHSSSILA284 MRDEQSLWSL 319 EQPFRIELIQ329 GSKVNADERM339 KLVVQAGLFH349 GNEMLCKTVS359 SSEVSVCSEP 369 VWKQRLEFDI379 NICDLPRMAR389 LCFALYAVIE399 KDCPIAWANL423 MLFDYKDQLK 433 TGERCLYMWP443 SVPDEKGELL453 NPTGTVRSNP463 NTDSAAALLI473 CLPEVAPHPV 483 YYPALEKILE493 LGRHEEEQLQ510 LREILERYEH526 EKDLVWKLRH536 EVQEHFPEAL 546 ARLLLVTKWN556 KHEDVAQMLY566 LLCSWPELPV576 LSALELLDFS586 FPDCHVGSFA 596 IKSLRKLTDD606 ELFQYLLQLV616 QVLKYESYLD626 CELTKFLLDR636 ALANRKIGHF 646 LFWHLRSEMH656 VPSVALRFGL666 ILEAYCRGST676 HHMKVLMKQG686 EALSKLKALN 696 DFVKLSSQKT706 PKPQTKELMH716 LCMRQEAYLE726 ALSHLQSPLD736 PSTLLAEVCV 746 EQCTFMDSKM756 KPLWIMYSNE766 EAGSVGIIFK779 NGDDLRQDML789 TLQMIQLMDV 799 LWKQEGLDLR809 MTPYGCLPTG819 DRTGLIEVVL829 RSDTIANIQL839 NDALLNWLKS 861 KNPGEALDRA871 IEEFTLSCAG881 YCVATYVLGI891 GDRHSDNIMI901 RESGQLFHID 911 FGHFLGNFER929 VPFILTYDFV939 HVIQQGKTNN949 SEKFERFRGY959 CERAYTILRR 969 HGLLFLHLFA979 LMRAAGLPEL989 SCSKDIQYLK999 DSLALGKTEE1009 EALKHFRVKF 1019 NEALRESWKT1029 KV
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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 .5H5 or .5H52 or .5H53 or :35H5;style chemicals stick;color identity;select .A:752 or .A:754 or .A:758 or .A:760 or .A:777 or .A:779 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET752
3.797
SER754
4.268
PRO758
3.684
TRP760
3.386
ILE777
3.852
LYS779
3.644
ASP787
4.213
TYR813
3.736
ILE825
3.558
GLU826
3.585
|
|||||
| Ligand Name: cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C | PDB:7LM2 | ||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [5] |
| PDB Sequence |
WTKEENQSVV
21 VDFLLPTGVY31 LNFPVSRNAN41 LSTIKQLLWH51 RAQYEPLFHM61 LSGPEAYVFT 71 CINQTAEQQE81 LEDEQRRLCD91 VQPFLPVLRL101 VAREGDRVKK111 LINSQISLLI 121 GKGLHEFDSL131 CDPEVNDFRA141 KMCQFCEEAA151 ARRQQLGWEA161 WLQYSFPLQL 171 EPSLPNRALL191 VNVKFEGSEE201 SFTFQVSTKD211 VPLALMACAL221 RKKARQQPED 238 YTLQVNGRHE248 YLYGSYPLCQ258 FQYICSCLHS268 GLTPHLTMVH278 SSSILAMRDE 288 QSSLWSLEQP322 FRIELIQGSK332 VNADERMKLV342 VQAGLFHGNE352 MLCKTVSSSE 362 VSVCSEPVWK372 QRLEFDINIC382 DLPRMARLCF392 ALYAVIEKDC416 PIAWANLMLF 426 DYKDQLKTGE436 RCLYMWPSVP446 DEKGELLNPT456 GTVRSNPNTD466 SAAALLICLP 476 EVAPHPVYYP486 ALEKILELGR496 HTEEEQLQLR512 EILERYEHEK528 DLVWKLRHEV 538 QEHFPEALAR548 LLLVTKWNKH558 EDVAQMLYLL568 CSWPELPVLS578 ALELLDFSFP 588 DCHVGSFAIK598 SLRKLTDDEL608 FQYLLQLVQV618 LKYESYLDCE628 LTKFLLDRAL 638 ANRKIGHFLF648 WHLRSEMHVP658 SVALRFGLIL668 EAYCRGSTHH678 MKVLMKQGEA 688 LSKLKALNDF698 VKLSSQKTPK708 PQTKELMHLC718 MRQEAYLEAL728 SHLQSPLDPS 738 TLLAEVCVEQ748 CTFMDSKMKP758 LWIMYSNEEA768 GSGGSVGIIF778 KNGDDLRQDM 788 LTLQMIQLMD798 VLWKQEGLDL808 RMTPYGCLPT818 GDRTGLIEVV828 LRSDTIANIQ 838 LNKDALLNWL859 KSKNPGEALD869 RAIEEFTLSC879 AGYCVATYVL889 GIGDRHSDNI 899 MIRESGQLFH909 IDFGHFLGNF919 RERVPFILTY936 DFVHVIQQGK946 TNNSEKFERF 956 RGYCERAYTI966 LRRHGLLFLH976 LFALMRAAGL986 PELSCSKDIQ996 YLKDSLALGK 1006 TEEEALKHFR1016 VKFNEALRES1026 WKTKV
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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 .Y5Y or .Y5Y2 or .Y5Y3 or :3Y5Y;style chemicals stick;color identity;select .A:750 or .A:751 or .A:752 or .A:753 or .A:760 or .A:777 or .A:779 or .A:784 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR750
3.881
PHE751
4.656
MET752
3.578
ASP753
4.384
TRP760
3.488
ILE777
3.838
LYS779
4.256
LEU784
4.465
ASP787
3.725
TYR813
3.449
ILE825
3.731
|
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| Ligand Name: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one | Ligand Info | |||||
| Structure Description | Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | PDB:6PYR | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [6] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSNR 188 ALLVNVKFEG198 SEESFTFQVS208 TKDVPLALMA218 CALRKKATVR229 QVEQPEDYTL 241 QVNGRHEYLY251 GSYPLCQFQY261 ICSCLHSGLT271 PHLTMVHSSS281 ILAMRDESSV 314 SLWSLEQPFR324 IELIQGSKVN334 ADERMKLVVQ344 AGLFHGNEML354 CKTVSSSEVS 364 VCSEPVWKQR374 LEFDINICDL384 PRMARLCFAL394 YAVIEKAADC416 PIAWANLMLF 426 DYKDQLKTGE436 RCLYMWPSVP446 DEKGELLNPT456 GTVRSNPNTD466 SAAALLICLP 476 EVAPHPVYYP486 ALEKILELGR496 HTEEEQLQLR512 EILEGELYEH526 EKDLVWKLRH 536 EVQEHFPEAL546 ARLLLVTKWN556 KHEDVAQMLY566 LLCSWPELPV576 LSALELLDFS 586 FPDCHVGSFA596 IKSLRKLTDD606 ELFQYLLQLV616 QVLKYESYLD626 CELTKFLLDR 636 ALANRKIGHF646 LFWHLRSEMH656 VPSVALRFGL666 ILEAYCRGST676 HHMKVLMKQG 686 EALSKLKALN696 DFVKLSSQKT706 PKPQTKELMH716 LCMRQEAYLE726 ALSHLQSPLD 736 PSTLLAEVCV746 EQCTFMDSKM756 KPLWIMYSNE766 ESVGIIFKNG781 DDLRQDMLTL 791 QMIQLMDVLW801 KQEGLDLRMT811 PYGCLPTGDR821 TGLIEVVLRS831 DTIANIQLNN 851 KDALLNWLKS861 KNPGEALDRA871 IEEFTLSCAG881 YCVATYVLGI891 GDRHSDNIMI 901 RESGQLFHID911 FGHFLGNFER929 VPFILTYDFV939 HVIQQGKTNN949 SEKFERFRGY 959 CERAYTILRR969 HGLLFLHLFA979 LMRAAGLPEL989 SCSKDIQYLK999 DSLALGKTEE 1009 EALKHFRVKF1019 NEALRESWKT1029 KVN
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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 .P5J or .P5J2 or .P5J3 or :3P5J;style chemicals stick;color identity;select .A:708 or .A:750 or .A:751 or .A:752 or .A:760 or .A:777 or .A:779 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS708
4.736
THR750
4.098
PHE751
3.975
MET752
3.923
TRP760
3.683
ILE777
3.810
LYS779
3.209
ASP787
4.405
TYR813
3.449
ILE825
3.426
GLU826
3.213
|
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| Ligand Name: (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | PDB:7JIS | ||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [7] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSNR 188 ALLVNVKFEG198 SEESFTFQVS208 TKDVPLALMA218 CALRKKATVR229 QVEQPEDYTL 241 QVNGRHEYLY251 GSYPLCQFQY261 ICSCLHSGLT271 PHLTMVHSSS281 ILAMRDESSV 314 SLWSLEQPFR324 IELIQGSKVN334 ADERMKLVVQ344 AGLFHGNEML354 CKTVSSSEVS 364 VCSEPVWKQR374 LEFDINICDL384 PRMARLCFAL394 YAVIEKAADC416 PIAWANLMLF 426 DYKDQLKTGE436 RCLYMWPSVP446 DEKGELLNPT456 GTVRSNPNTD466 SAAALLICLP 476 EVAPHPVYYP486 ALEKILELGR496 HTEEEQLQLR512 EILEGELYEH526 EKDLVWKLRH 536 EVQEHFPEAL546 ARLLLVTKWN556 KHEDVAQMLY566 LLCSWPELPV576 LSALELLDFS 586 FPDCHVGSFA596 IKSLRKLTDD606 ELFQYLLQLV616 QVLKYESYLD626 CELTKFLLDR 636 ALANRKIGHF646 LFWHLRSEMH656 VPSVALRFGL666 ILEAYCRGST676 HHMKVLMKQG 686 EALSKLKALN696 DFVKLSSQKT706 PKPQTKELMH716 LCMRQEAYLE726 ALSHLQSPLD 736 PSTLLAEVCV746 EQCTFMDSKM756 KPLWIMYSNE766 SVGIIFKNGD782 DLRQDMLTLQ 792 MIQLMDVLWK802 QEGLDLRMTP812 YGCLPTGDRT822 GLIEVVLRSD832 TIANIQLDAL 855 LNWLKSKNPG865 EALDRAIEEF875 TLSCAGYCVA885 TYVLGIGDRH895 SDNIMIRESG 905 QLFHIDFGHF915 LGNERVPFIL934 TYDFVHVIQQ944 GKTNNSEKFE954 RFRGYCERAY 964 TILRRHGLLF974 LHLFALMRAA984 GLPELSCSKD994 IQYLKDSLAL1004 GKTEEEALKH 1014 FRVKFNEALR1024 ESWKT
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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 .VBS or .VBS2 or .VBS3 or :3VBS;style chemicals stick;color identity;select .A:708 or .A:750 or .A:751 or .A:752 or .A:760 or .A:777 or .A:779 or .A:784 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS708
4.163
THR750
4.152
PHE751
3.883
MET752
3.572
TRP760
3.580
ILE777
3.526
LYS779
3.813
LEU784
4.414
ASP787
4.119
TYR813
3.700
ILE825
3.330
|
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| Ligand Name: (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one | Ligand Info | |||||
| Structure Description | Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one) | PDB:6PYU | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [6] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSAP 186 NRALLVNVKF196 EGSEESFTFQ206 VSTKDVPLAL216 MACALRKKAT226 QPEDYTLQVN 244 GRHEYLYGSY254 PLCQFQYICS264 CLHSGLTPHL274 TMVHSSSILA284 MRDEVSLWSL 319 EQPFRIELIQ329 GSKVNADERM339 KLVVQAGLFH349 GNEMLCKTVS359 SSEVSVCSEP 369 VWKQRLEFDI379 NICDLPRMAR389 LCFALYAVIE399 DCPIAWANLM424 LFDYKDQLKT 434 GERCLYMWPS444 VPDEKGELLN454 PTGTVRSNPN464 TDSAAALLIC474 LPEVAPHPVY 484 YPALEKILEL494 GRHSEEEQLQ510 LREILERGEL523 YEHEKDLVWK533 LRHEVQEHFP 543 EALARLLLVT553 KWNKHEDVAQ563 MLYLLCSWPE573 LPVLSALELL583 DFSFPDCHVG 593 SFAIKSLRKL603 TDDELFQYLL613 QLVQVLKYES623 YLDCELTKFL633 LDRALANRKI 643 GHFLFWHLRS653 EMHVPSVALR663 FGLILEAYCR673 GSTHHMKVLM683 KQGEALSKLK 693 ALNDFVKLSS703 QKTPKPQTKE713 LMHLCMRQEA723 YLEALSHLQS733 PLDPSTLLAE 743 VCVEQCTFMD753 SKMKPLWIMY763 SNEEAGSGGS773 VGIIFKNGDD783 LRQDMLTLQM 793 IQLMDVLWKQ803 EGLDLRMTPY813 GCLPTGDRTG823 LIEVVLRSDT833 IANIQLKDAL 855 LNWLKSKNPG865 EALDRAIEEF875 TLSCAGYCVA885 TYVLGIGDRH895 SDNIMIRESG 905 QLFHIDFGHF915 LGNERVPFIL934 TYDFVHVIQQ944 GKTNNSEKFE954 RFRGYCERAY 964 TILRRHGLLF974 LHLFALMRAA984 GLPELSCSKD994 IQYLKDSLAL1004 GKTEEEALKH 1014 FRVKFNEALR1024 ESWKTKVNWL1034
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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 .P5V or .P5V2 or .P5V3 or :3P5V;style chemicals stick;color identity;select .A:708 or .A:750 or .A:751 or .A:752 or .A:760 or .A:777 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:908 or .A:910 or .A:911; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,3-d]Pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | PDB:6G6W | ||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [8] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSAP 186 NRALLVNVKF196 EGSEESFTFQ206 VSTKDVPLAL216 MACALRKKAT226 VQPEDYTLQV 243 NGRHEYLYGS253 YPLCQFQYIC263 SCLHSGLTPH273 LTMVHSSSIL283 AMRDESVSLW 317 SLEQPFRIEL327 IQGSKVNADE337 RMKLVVQAGL347 FHGNEMLCKT357 VSSSEVSVCS 367 EPVWKQRLEF377 DINICDLPRM387 ARLCFALYAV397 IEDCPIAWAN422 LMLFDYKDQL 432 KTGERCLYMW442 PSVPDEKGEL452 LNPTGTVRSN462 PNTDSAAALL472 ICLPEVAPHP 482 VYYPALEKIL492 ELGRHSEEEQ508 LQLREILERE522 LYEHEKDLVW532 KLRHEVQEHF 542 PEALARLLLV552 TKWNKHEDVA562 QMLYLLCSWP572 ELPVLSALEL582 LDFSFPDCHV 592 GSFAIKSLRK602 LTDDELFQYL612 LQLVQVLKYE622 SYLDCELTKF632 LLDRALANRK 642 IGHFLFWHLR652 SEMHVPSVAL662 RFGLILEAYC672 RGSTHHMKVL682 MKQGEALSKL 692 KALNDFVKLS702 SQKTPKPQTK712 ELMHLCMRQE722 AYLEALSHLQ732 SPLDPSTLLA 742 EVCVEQCTFM752 DSKMKPLWIM762 YSNEEAGSGG772 SVGIIFKNGD782 DLRQDMLTLQ 792 MIQLMDVLWK802 QEGLDLRMTP812 YGCLPTGDRT822 GLIEVVLRSD832 TIANIQLDAL 855 LNWLKSKNPG865 EALDRAIEEF875 TLSCAGYCVA885 TYVLGIGDRH895 SDNIMIRESG 905 QLFHIDFGHF915 LGNFERVPFI933 LTYDFVHVIQ943 QGKTNNSEKF953 ERFRGYCERA 963 YTILRRHGLL973 FLHLFALMRA983 AGLPELSCSK993 DIQYLKDSLA1003 LGKTEEEALK 1013 HFRVKFNEAL1023 RESWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EO5 or .EO52 or .EO53 or :3EO5;style chemicals stick;color identity;select .A:750 or .A:751 or .A:752 or .A:758 or .A:759 or .A:760 or .A:777 or .A:779 or .A:787 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:910 or .A:911 or .A:912; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR750
3.974
PHE751
3.421
MET752
3.120
PRO758
3.334
LEU759
4.445
TRP760
3.438
ILE777
3.141
LYS779
2.600
ASP787
2.737
TYR813
3.180
ILE825
3.382
|
|||||
| Ligand Name: 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | PDB:6OCO | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [2] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPLPN 187 RALLVNVKFE197 GSEESFTFQV207 STKDVPLALM217 ACALRKKAVE234 QPEDYTLQVN 244 GRHEYLYGSY254 PLCQFQYICS264 CLHSGLTPHL274 TMVHSSSILA284 MRDEQSLWSL 319 EQPFRIELIQ329 GSKVNADERM339 KLVVQAGLFH349 GNEMLCKTVS359 SSEVSVCSEP 369 VWKQRLEFDI379 NICDLPRMAR389 LCFALYAVIE399 KAKDCPIAWA421 NLMLFDYKDQ 431 LKTGERCLYM441 WPSVPDEKGE451 LLNPTGTVRS461 NPNTDSAAAL471 LICLPEVAPH 481 PVYYPALEKI491 LELGRHTEEE507 QLQLREILER517 RYEHEKDLVW532 KLRHEVQEHF 542 PEALARLLLV552 TKWNKHEDVA562 QMLYLLCSWP572 ELPVLSALEL582 LDFSFPDCHV 592 GSFAIKSLRK602 LTDDELFQYL612 LQLVQVLKYE622 SYLDCELTKF632 LLDRALANRK 642 IGHFLFWHLR652 SEMHVPSVAL662 RFGLILEAYC672 RGSTHHMKVL682 MKQGEALSKL 692 KALNDFVKLS702 SQKTPKPQTK712 ELMHLCMRQE722 AYLEALSHLQ732 SPLDPSTLLA 742 EVCVEQCTFM752 DSKMKPLWIM762 YSNEEAGSGG772 SVGIIFKNGD782 DLRQDMLTLQ 792 MIQLMDVLWK802 QEGLDLRMTP812 YGCLPTGDRT822 GLIEVVLRSD832 TIANIQLNKD 853 ALLNWLKSKN863 PGEALDRAIE873 EFTLSCAGYC883 VATYVLGIGD893 RHSDNIMIRE 903 SGQLFHIDFG913 HFLGNFERVP931 FILTYDFVHV941 IQQGKTNNSE951 KFERFRGYCE 961 RAYTILRRHG971 LLFLHLFALM981 RAAGLPELSC991 SKDIQYLKDS1001 LALGKTEEEA 1011 LKHFRVKFNE1021 ALRESWKTKV1031
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M5V or .M5V2 or .M5V3 or :3M5V;style chemicals stick;color identity;select .A:708 or .A:750 or .A:751 or .A:752 or .A:753 or .A:760 or .A:777 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:900 or .A:908 or .A:910 or .A:911; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-Acetyl-1-(3-{4-Amino-5-[1-(2,2,2-Trifluoroethyl)-1h-Pyrazol-5-Yl]pyrrolo[2,1-F][1,2,4]triazin-7-Yl}phenyl)-3,3-Dimethylpiperazin-2-One | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | PDB:5VLR | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [9] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPSLP 186 NRALLVNVKF196 EGSEESFTFQ206 VSTKDVPLAL216 MACALRKKAT226 EDYTLQVNGR 246 HEYLYGSYPL256 CQFQYICSCL266 HSGLTPHLTM276 VHSSSILAMR286 DLWSLEQPFR 324 IELIQGSKVN334 ADERMKLVVQ344 AGLFHGNEML354 CKTVSSSEVS364 VCSEPVWKQR 374 LEFDINICDL384 PRMARLCFAL394 YAVIEKAKAD415 CPIAWANLML425 FDYKDQLKTG 435 ERCLYMWPSV445 PDEKGELLNP455 TGTVRSNPNT465 DSAAALLICL475 PEVAPHPVYY 485 PALEKILELG495 RHTEEEQLQL511 REILEGELYE525 HEKDLVWKLR535 HEVQEHFPEA 545 LARLLLVTKW555 NKHEDVAQML565 YLLCSWPELP575 VLSALELLDF585 SFPDCHVGSF 595 AIKSLRKLTD605 DELFQYLLQL615 VQVLKYESYL625 DCELTKFLLD635 RALANRKIGH 645 FLFWHLRSEM655 HVPSVALRFG665 LILEAYCRGS675 THHMKVLMKQ685 GEALSKLKAL 695 NDFVKLSSQK705 TPKPQTKELM715 HLCMRQEAYL725 EALSHLQSPL735 DPSTLLAEVC 745 VEQCTFMDSK755 MKPLWIMYSN765 EEASVGIIFK779 NGDDLRQDML789 TLQMIQLMDV 799 LWKQEGLDLR809 MTPYGCLPTG819 DRTGLIEVVL829 RSDTIANIQL839 NFNKDALLNW 858 LKSKNPGEAL868 DRAIEEFTLS878 CAGYCVATYV888 LGIGDRHSDN898 IMIRESGQLF 908 HIDFGHFLGN918 FINRERVPFI933 LTYDFVHVIQ943 QGKTNNSEKF953 ERFRGYCERA 963 YTILRRHGLL973 FLHLFALMRA983 AGLPELSCSK993 DIQYLKDSLA1003 LGKTEEEALK 1013 HFRVKFNEAL1023 RESWKT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9EM or .9EM2 or .9EM3 or :39EM;style chemicals stick;color identity;select .A:708 or .A:750 or .A:751 or .A:752 or .A:758 or .A:760 or .A:777 or .A:779 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:910 or .A:911; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS708
4.467
THR750
2.722
PHE751
3.302
MET752
3.363
PRO758
3.563
TRP760
3.382
ILE777
3.315
LYS779
3.013
TYR813
3.164
ILE825
3.341
|
|||||
| Ligand Name: 1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | PDB:5UBT | ||||
| Method | X-ray diffraction | Resolution | 2.83 Å | Mutation | Yes | [10] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPLPN 187 RALLVNVKFE197 GSEESFTFQV207 STKDVPLALM217 ACALRKKATL241 QVNGRHEYLY 251 GSYPLCQFQY261 ICSCLHSGLT271 PHLTMVHSSS281 ILAMRDLWSL319 EQPFRIELIQ 329 GSKVNADERM339 KLVVQAGLFH349 GNEMLCKTVS359 SSEVSVCSEP369 VWKQRLEFDI 379 NICDLPRMAR389 LCFALYAVIE399 KADCPIAWAN422 LMLFDYKDQL432 KTGERCLYMW 442 PSVPDEKGEL452 LNPTGTVRSN462 PNTDSAAALL472 ICLPEVAPHP482 VYYPALEKIL 492 ELGRTEEEQL509 QLREILEGEL523 YEHEKDLVWK533 LRHEVQEHFP543 EALARLLLVT 553 KWNKHEDVAQ563 MLYLLCSWPE573 LPVLSALELL583 DFSFPDCHVG593 SFAIKSLRKL 603 TDDELFQYLL613 QLVQVLKYES623 YLDCELTKFL633 LDRALANRKI643 GHFLFWHLRS 653 EMHVPSVALR663 FGLILEAYCR673 GSTHHMKVLM683 KQGEALSKLK693 ALNDFVKLSS 703 QKTPKPQTKE713 LMHLCMRQEA723 YLEALSHLQS733 PLDPSTLLAE743 VCVEQCTFMD 753 SKMKPLWIMY763 SNEEAGSVGI776 IFKNGDDLRQ786 DMLTLQMIQL796 MDVLWKQEGL 806 DLRMTPYGCL816 PTGDRTGLIE826 VVLRSDTIAN836 IQLLLNWLKS861 KNPGEALDRA 871 IEEFTLSCAG881 YCVATYVLGI891 GDRHSDNIMI901 RESGQLFHID911 FGHFLGNFRE 928 RVPFILTYDF938 VHVIQQGKTN948 NSEKFERFRG958 YCERAYTILR968 RHGLLFLHLF 978 ALMRAAGLPE988 LSCSKDIQYL998 KDSLALGKTE1008 EEALKHFRVK1018 FNEALRESWK 1028 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .85S or .85S2 or .85S3 or :385S;style chemicals stick;color identity;select .A:750 or .A:752 or .A:754 or .A:758 or .A:760 or .A:777 or .A:779 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:836 or .A:900 or .A:910 or .A:911; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Azanyl-6-[[(1~{s})-1-(4-Oxidanylidene-3-Phenyl-Pyrrolo[2,1-F][1,2,4]triazin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile | Ligand Info | |||||
| Structure Description | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | PDB:5M6U | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [11] |
| PDB Sequence |
NQSVVVDFLL
26 PTGVYLNFPV36 SRNANLSTIK46 QLLWHRAQYE56 PLFHMLSGPE66 AYVFTCINQT 76 AEQQELEDEQ86 RRLCDVQPFL96 PVLRLVAREG106 DRVKKLINSQ116 ISLLIGKGLH 126 EFDSLCDPEV136 NDFRAKMCQF146 CEEAAARRQQ156 LGWEAWLQYS166 FPLQLEPLLV 192 NVKFEGSEES202 FTFQVSTKDV212 PLALMACPED238 YTLQVNGRHE248 YLYGSYPLCQ 258 FQYICSCLHS268 GLTPHLTMVH278 SSSILAMRDE288 SLWSLEQPFR324 IELIQGSKVN 334 ADERMKLVVQ344 AGLFHGNEML354 CKTVSSSEVS364 VCSEPVWKQR374 LEFDINICDL 384 PRMARLCFAL394 YAVIEDCPIA419 WANLMLFDYK429 DQLKTGERCL439 YMWPSVPDEK 449 GELLNPTGTV459 RSNPNTDSAA469 ALLICLPEVA479 PHPVYYPALE489 KILELGRHSV 503 TEEEQLQLRE513 ILERRGSGEL523 YEHEKDLVWK533 LRHEVQEHFP543 EALARLLLVT 553 KWNKHEDVAQ563 MLYLLCSWPE573 LPVLSALELL583 DFSFPDCHVG593 SFAIKSLRKL 603 TDDELFQYLL613 QLVQVLKYES623 YLDCELTKFL633 LDRALANRKI643 GHFLFWHLRS 653 EMHVPSVALR663 FGLILEAYCR673 GSTHHMKVLM683 KQGEALSKLK693 ALNDFVKLSS 703 QKTPKPQTKE713 LMHLCMRQEA723 YLEALSHLQS733 PLDPSTLLAE743 VCVEQCTFMD 753 SKMKPLWIMY763 SNEEAGSGGS773 VGIIFKNGDD783 LRQDMLTLQM793 IQLMDVLWKQ 803 EGLDLRMTPY813 GCLPTGDRTG823 LIEVVLRSDT833 IANIQLDALL856 NWLKSKNPGE 866 ALDRAIEEFT876 LSCAGYCVAT886 YVLGIGDRHS896 DNIMIRESGQ906 LFHIDFGHFL 916 GNFKTRERVP931 FILTYDFVHV941 IQQGKTNNSE951 KFERFRGYCE961 RAYTILRRHG 971 LLFLHLFALM981 RAAGLPELSC991 SKDIQYLKDS1001 LALGKTEEEA1011 LKHFRVKFNE 1021 ALRESW
|
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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 .7KA or .7KA2 or .7KA3 or :37KA;style chemicals stick;color identity;select .A:751 or .A:752 or .A:758 or .A:759 or .A:760 or .A:777 or .A:813 or .A:825 or .A:826 or .A:827 or .A:828 or .A:831 or .A:832 or .A:833 or .A:900 or .A:908 or .A:910 or .A:911; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure-Based Design of Tricyclic NF-KappaB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J Med Chem. 2017 Jan 26;60(2):627-640. | ||||
| REF 2 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3KDelta inhibitors. Bioorg Med Chem Lett. 2020 Jan 1;30(1):126715. | ||||
| REF 3 | Discovery of a new series of PI3K-Delta inhibitors from Virtual Screening. Bioorg Med Chem Lett. 2021 Jun 15;42:128046. | ||||
| REF 4 | The Rational Design of Selective Benzoxazepin Inhibitors of the Alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J Med Chem. 2016 Feb 11;59(3):985-1002. | ||||
| REF 5 | Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3KDelta Immunomodulators. J Med Chem. 2021 Apr 22;64(8):5137-5156. | ||||
| REF 6 | Design of selective PI3KDelta inhibitors using an iterative scaffold-hopping workflow. Bioorg Med Chem Lett. 2019 Sep 15;29(18):2575-2580. | ||||
| REF 7 | Optimization of Versatile Oxindoles as Selective PI3KDelta Inhibitors. ACS Med Chem Lett. 2020 Nov 19;11(12):2461-2469. | ||||
| REF 8 | Discovery of a Novel Inhaled PI3KDelta Inhibitor for the Treatment of Respiratory Diseases. J Med Chem. 2018 Nov 8;61(21):9551-9567. | ||||
| REF 9 | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase Delta (PI3KDelta) Inhibitor for the Treatment of Immunological Disorders. J Med Chem. 2017 Jun 22;60(12):5193-5208. | ||||
| REF 10 | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3KDelta inhibitors. Bioorg Med Chem Lett. 2017 Feb 15;27(4):855-861. | ||||
| REF 11 | Discovery of a Potent, Selective, and Orally Available PI3KDelta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett. 2016 Nov 30;8(1):118-123. | ||||
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