Molecule Details
InChIKeyKWSMBEJYQLCPRA-MFPJKNJCSA-N
Compound NameN(1)Gly-Arg-Cys(2)-Thr-Arg-Ser-Ile-Pro-Pro-Ile-Cys(2)-Phe-Pro-Asp(1)-OH
Canonical SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)6
Pfam Stratification Homologous
Avg pChEMBL8.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (6)
Target Gene Organism Category Pfam pChEMBL Type Source
P07477 PRSS1 Homo sapiens Human PF00089 10.5 Ki ChEMBL;BindingDB
P07478 PRSS2 Homo sapiens Human PF00089 10.5 Ki ChEMBL
P35030 PRSS3 Homo sapiens Human PF00089 10.5 Ki ChEMBL
P00747 PLG Homo sapiens Human PF00051 PF00024 PF00089 6.9 Ki ChEMBL;BindingDB
P00734 F2 Homo sapiens Human PF00594 PF00051 PF09396 PF00089 6.4 Ki ChEMBL;BindingDB
Q8IU80 TMPRSS6 Homo sapiens Human PF00057 PF01390 PF00089 6.3 Ki ChEMBL;BindingDB