Molecule Details
InChIKeyYTOPOMUWWWKQQR-MCKYZGRYSA-N
Compound Name(6R,17S,20R,29S)-20-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-6,29-dimethyl-3,10,19-trioxo-2,5,8,11,18-pentazatetracyclo[20.2.2.25,8.212,15]triaconta-1(25),12,14,22(26),23,27-hexaene-17-carboxamide
Canonical SMILESC[C@@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.62
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P00747 PLG Homo sapiens Human PF00051 PF00024 PF00089 8.9 Ki ChEMBL;BindingDB
P03952 KLKB1 Homo sapiens Human PF00024 PF00089 6.3 Ki ChEMBL;BindingDB