3-[[(3R,4S,5S,6R)-4,5-dihydroxy-7-[[3-(methylcarbamoyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methyl-benzamide

InChIKey	`JXCRNYYHOBWABD-WZJLIZBTSA-N`
Compound Name	3-[[(3R,4S,5S,6R)-4,5-dihydroxy-7-[[3-(methylcarbamoyl)phenyl]methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methyl-benzamide
Canonical SMILES	`CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(C(=O)NC)c3)S2(=O)=O)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.3
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P12497	gag-pol	Human immunodeficiency virus type 1 group M subtype B (isolate NY5)	Pathogen	PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098	7.4	Ki	BindingDB
Q72874	pol	Human immunodeficiency virus type 1	Pathogen	PF00077	7.2	Kd	ChEMBL