L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R*,2S*,3S*,4S*(1R*,2R*)))-

InChIKey	`KSMBSRZMXQIWHU-GSJMOOKZSA-N`
Compound Name	L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R,2S,3S,4S(1R,2R)))-
Canonical SMILES	`CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.19
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P00797	REN	Homo sapiens	Human	PF07966 PF00026	6.5	IC50	ChEMBL;BindingDB
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	7.5	Ki	BindingDB
Q72874	pol	Human immunodeficiency virus type 1	Pathogen	PF00077	7.5	Ki	ChEMBL