Molecule Details
InChIKeyMZDVCOYYTAHLOR-WUTPFUBCSA-N
Compound Name(2R)-2-[[(2S,11S)-11-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carbonyl]amino]-3-oxopropanoic acid
Canonical SMILESCC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C=O)C(=O)O)C3)N(C)C(C)=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.24
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P10144 GZMB Homo sapiens Human PF00089 8.1 Ki ChEMBL;BindingDB
P42574 CASP3 Homo sapiens Human PF00656 7.2 Ki ChEMBL;BindingDB
Q14790 CASP8 Homo sapiens Human PF01335 PF00656 6.5 Ki ChEMBL;BindingDB