(2s,2's)-N,N'-[(2s,3s,4s,5s)-1-Cyclohexyl-3,4-Dihydroxy-6-Phenylhexane-2,5-Diyl]bis[3-Methyl-2-({[methyl(Pyridin-2-Ylmethyl)amino]carbonyl}amino)butanamide]

InChIKey	`JQIFSYRTTKZQMY-UNHORJANSA-N`
Compound Name	(2s,2's)-N,N'-[(2s,3s,4s,5s)-1-Cyclohexyl-3,4-Dihydroxy-6-Phenylhexane-2,5-Diyl]bis[3-Methyl-2-({[methyl(Pyridin-2-Ylmethyl)amino]carbonyl}amino)butanamide]
Canonical SMILES	`CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	8.17
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q9YQ12	protease	Human immunodeficiency virus type 1	Pathogen	PF00077	8.5	Ki	ChEMBL
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	8.2	Ki	BindingDB
Q72874	pol	Human immunodeficiency virus type 1	Pathogen	PF00077	7.8	Ki	ChEMBL