cyclo[Arg-Cys(1)-Gln-Phe(4-Cl)-Ser-Glu-Pro-Pro-Glu-Cys(1)-Phe-Pro-Asp-Gly]

InChIKey	`KKRGXDSPEUYYKM-XIQIEEFNSA-N`
Compound Name	cyclo[Arg-Cys(1)-Gln-Phe(4-Cl)-Ser-Glu-Pro-Pro-Glu-Cys(1)-Phe-Pro-Asp-Gly]
Canonical SMILES	`N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Homologous
Avg pChEMBL	6.81
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P23946	CMA1	Homo sapiens	Human	PF00089	8.1	IC50	ChEMBL;BindingDB
P08311	CTSG	Homo sapiens	Human	PF00089	6.8	Ki	ChEMBL;BindingDB
P17538	CTRB1	Homo sapiens	Human	PF00089	6.5	Ki	ChEMBL
P40313	CTRL	Homo sapiens	Human	PF00089	6.5	Ki	ChEMBL
Q6GPI1	CTRB2	Homo sapiens	Human	PF00089	6.5	Ki	ChEMBL;BindingDB
Q99895	CTRC	Homo sapiens	Human	PF00089	6.5	Ki	ChEMBL