Molecule Details
InChIKeyVNYOJACRBDECNH-QMJGUQGKSA-N
Compound Name{(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{(S)-4-methyl-2-[(pyrazine-2-carbonyl)-amino]-pentanoylamino}-pentanoylamino)-propionylamino]-5,5-difluoro-2-oxo-pentanoylamino}-acetic acid
Canonical SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.22
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
A3EZI9 NS3 Hepacivirus hominis Pathogen PF07652 PF22027 PF02907 7.2 IC50 BindingDB
P26664 Hepatitis C virus genotype 1a (isolate 1) Pathogen PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 7.2 IC50 ChEMBL;BindingDB