Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50268796
Substrate
n/a
Meas. Tech.
ChEMBL_523573 (CHEMBL997223)
IC50
2.8±n/a nM
Citation
 Qu, H; Cai, M; Mayorov, AV; Grieco, P; Zingsheim, M; Trivedi, D; Hruby, VJ Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor. J Med Chem 52:3627-35 (2009) [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:
BDBM50268796
Synonyms:
Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DPhe-Arg-Trp-Lys]-NH2 | CHEMBL524861
Type:
Small organic molecule
Emp. Form.:
C50H72N16O9
Mol. Mass.:
1041.2085
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,50.52,12.11,21.76,wD:25.25,39.41,61.68,63.72,(20.34,-25.22,;18.98,-24.49,;18.93,-22.95,;17.57,-22.23,;17.52,-20.69,;18.83,-19.87,;18.78,-18.33,;20.08,-17.51,;17.42,-17.6,;16.16,-19.96,;16.11,-18.42,;14.85,-20.77,;13.49,-20.05,;12.18,-20.86,;12.24,-22.4,;13.59,-23.13,;10.92,-23.22,;9.56,-22.49,;8.26,-23.31,;6.89,-22.58,;5.58,-23.39,;4.23,-22.66,;4.17,-21.12,;2.82,-20.4,;1.5,-21.21,;2.76,-18.86,;1.39,-18.12,;-.07,-18.63,;-1.33,-17.73,;-2.56,-18.65,;-2.05,-20.13,;-2.79,-21.47,;-1.99,-22.78,;-.45,-22.73,;.28,-21.39,;-.52,-20.09,;4.07,-18.04,;5.39,-18.27,;6.72,-19.07,;4.02,-16.5,;2.66,-15.78,;2.61,-14.23,;1.25,-13.51,;1.2,-11.97,;-.17,-11.24,;-.21,-9.7,;-1.47,-12.06,;5.33,-15.69,;6.69,-16.41,;6.74,-17.95,;8,-15.6,;7.95,-14.06,;6.59,-13.33,;6.54,-11.79,;5.18,-11.07,;3.87,-11.88,;3.92,-13.43,;5.27,-14.15,;9.36,-16.32,;10.67,-15.52,;10.62,-13.97,;12.04,-16.25,;13.12,-15.14,;14.62,-15.54,;14.61,-17.08,;12.07,-17.77,;13.44,-18.51,;14.75,-17.69,;15.84,-14.61,;15.64,-13.08,;14.21,-12.48,;16.87,-12.14,;2.92,-23.48,;1.55,-22.75,;2.96,-25.02,)|
Structure:
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