Molecule Details
InChIKeyIWNWXPRWSFWNMU-GYSAZADJSA-N
Compound NameH-Gly-Gly-Val-D-Cys(1)-Pro-Lys-Ile-Leu-Lys-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Ala-D-Cys(1)-Ile-Cys(2)-Arg-Gly-Asn-Gly-Tyr-D-Cys(3)-Gly-Ser-Gly-Ser-Asp-OH
Canonical SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N3)NC(=O)[C@H]([C@@H](C)CC)NC2=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Homologous
Avg pChEMBL8.61
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P07477 PRSS1 Homo sapiens Human PF00089 9.8 Ki ChEMBL;BindingDB
P07478 PRSS2 Homo sapiens Human PF00089 9.8 Ki ChEMBL
P35030 PRSS3 Homo sapiens Human PF00089 9.8 Ki ChEMBL
P00747 PLG Homo sapiens Human PF00051 PF00024 PF00089 7.5 Ki ChEMBL;BindingDB
P00748 F12 Homo sapiens Human PF00008 PF00039 PF00040 PF00051 PF00089 6.1 Ki ChEMBL;BindingDB