Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17758 | Target Info | |||
| Target Name | Urokinase-type plasminogen activator (PLAU) | ||||
| Synonyms | UPA; U-plasminogen activator | ||||
| Target Type | Successful Target | ||||
| Gene Name | PLAU | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O | ||||
| InChI | 1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24) | ||||
| InChIKey | LMGQGPVCSYOMNS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1504 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1GJC ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [1] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
|
VAL41
2.880
CYS42
2.978
HIS57
1.684
CYS58
2.313
PHE59
4.391
ILE60
4.902
ASP60A
4.112
TYR151
4.439
ASP189
2.954
SER190
2.413
CYS191
2.993
GLN192
2.328
GLY193
3.323
ASP194
3.523
|
|||||
| PDB ID: 1GJB ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
|
VAL41
2.975
CYS42
2.791
HIS57
1.729
CYS58
2.313
PHE59
4.460
ASP60A
3.405
TYR151
4.792
ASP189
2.861
SER190
2.481
CYS191
2.853
GLN192
1.988
GLY193
3.257
ASP194
3.461
SER195
1.364
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem Biol. 2001 Nov;8(11):1107-21. | ||||
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