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

InChIKey	`HQIKQQKBLGAORR-RJDIWARKSA-N`
Compound Name	cyclo[Arg-Cys(1)-Gln-Tyr-Ser-Glu-Pro-Pro-Ile-Cys(1)-Phe-Pro-Asp-Gly]
Canonical SMILES	`CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Homologous
Avg pChEMBL	7.62
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08311	CTSG	Homo sapiens	Human	PF00089	9.6	Ki	ChEMBL;BindingDB
P23946	CMA1	Homo sapiens	Human	PF00089	8.8	IC50	ChEMBL;BindingDB
P17538	CTRB1	Homo sapiens	Human	PF00089	6.8	Ki	ChEMBL
P40313	CTRL	Homo sapiens	Human	PF00089	6.8	Ki	ChEMBL
Q6GPI1	CTRB2	Homo sapiens	Human	PF00089	6.8	Ki	ChEMBL;BindingDB
Q99895	CTRC	Homo sapiens	Human	PF00089	6.8	Ki	ChEMBL