cyclo[D-2Nal-N(Me)Arg-Trp-Pro-Ile-Cys(1)-His-D-Phe-Arg-Trp-Ala-Cys(1)-Pro-Pro]

InChIKey	`IXLVDOBKTIIMBE-WQLKSQOJSA-N`
Compound Name	cyclo[D-2Nal-N(Me)Arg-Trp-Pro-Ile-Cys(1)-His-D-Phe-Arg-Trp-Ala-Cys(1)-Pro-Pro]
Canonical SMILES	`CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.46
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q01726	MC1R	Homo sapiens	Human	PF00001	8.4	Ki	ChEMBL;BindingDB
P32245	MC4R	Homo sapiens	Human	PF00001	7.5	Ki	ChEMBL;BindingDB
P41968	MC3R	Homo sapiens	Human	PF00001	7.0	Ki	ChEMBL;BindingDB
P33032	MC5R	Homo sapiens	Human	PF00001	6.9	IC50	ChEMBL;BindingDB