Molecule Details
InChIKeySTJCUZOTQPIXIR-JWKNPDOPSA-N
Canonical SMILESN=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.72
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9Y337 KLK5 Homo sapiens Human PF00089 8.6 Ki ChEMBL;BindingDB
Q9P0G3 KLK14 Homo sapiens Human PF00089 6.8 Ki ChEMBL;BindingDB