5-[10-[4-[(S)-[[(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carbonyl]amino]-phenylmethyl]triazol-1-yl]decylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

InChIKey	`NAOHXUOBXHDSFA-KOYPEAILSA-N`
Compound Name	5-[10-[4-[(S)-[[(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carbonyl]amino]-phenylmethyl]triazol-1-yl]decylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Canonical SMILES	`CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCNC(=O)c4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)nn3)N2C1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	8.74
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q13490	BIRC2	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	9.2	Kd	ChEMBL;BindingDB
Q13489	BIRC3	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	8.7	Kd	ChEMBL;BindingDB
P98170	XIAP	Homo sapiens	Human	PF00653 PF21290 PF13920	8.4	Kd	ChEMBL;BindingDB