Molecule Details
InChIKeyHSMOPCIGLSCZAN-LQLDJECCSA-N
Compound NameThieno(3,2-c)pyridine-6-carboxamide, 5-((2R,3S)-3-(((2S)-2-(acetylamino)-3-(2-naphthalenylsulfonyl)-1-oxopropyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)octahydro-, (3aR,6S,7aS)-
Canonical SMILESCC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL9.3
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P04585 gag-pol Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) Pathogen PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 9.3 IC50 BindingDB
Q72874 pol Human immunodeficiency virus type 1 Pathogen PF00077 9.3 IC50 ChEMBL