Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50230821
Substrate
n/a
Meas. Tech.
ChEMBL_460496 (CHEMBL926576)
IC50
1100±n/a nM
Citation
 Mayorov, AV; Cai, M; Palmer, ES; Dedek, MM; Cain, JP; Van Scoy, AR; Tan, B; Vagner, J; Trivedi, D; Hruby, VJ Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor. J Med Chem 51:187-95 (2008) [PubMed]  Article 
Target
Name:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50230821
Synonyms:
CHEMBL438744 | c[CO-2,3-pyrazine-CO-D-Phe-Arg-Trp-Lys]-NH2
Type:
Small organic molecule
Emp. Form.:
C38H46N12O6
Mol. Mass.:
766.8486
SMILES:
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(23.78,-12.89,;22.44,-13.66,;21.11,-12.89,;22.44,-15.2,;21.11,-15.97,;21.11,-17.51,;19.77,-18.28,;19.77,-19.82,;18.43,-20.6,;17.1,-19.82,;17.1,-18.28,;15.76,-20.6,;14.43,-19.82,;14.43,-18.28,;15.77,-17.52,;15.77,-15.98,;14.44,-15.21,;13.1,-15.99,;13.11,-17.52,;15.76,-22.14,;14.43,-22.9,;13.1,-22.14,;14.43,-24.44,;13.09,-25.21,;13.09,-26.75,;14.43,-27.52,;15.76,-26.75,;15.76,-25.21,;17.08,-24.44,;17.08,-22.91,;18.41,-25.21,;18.41,-26.74,;17.09,-27.51,;19.78,-29.06,;19.74,-27.5,;21.11,-26.76,;21.11,-25.22,;22.44,-24.44,;23.78,-25.22,;22.44,-22.9,;23.78,-22.14,;25.1,-22.9,;25.28,-24.43,;26.79,-24.75,;27.55,-23.43,;29.05,-23.1,;29.53,-21.64,;28.5,-20.5,;27,-20.82,;26.52,-22.28,;21.11,-22.14,;21.11,-20.6,;22.44,-19.82,;22.43,-27.53,;23.76,-26.76,;22.43,-29.06,)|
Structure:
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