Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50134950
Substrate
n/a
Meas. Tech.
ChEMBL_106018 (CHEMBL718190)
Ki
12±n/a nM
Citation
 Balse-Srinivasan, P; Grieco, P; Cai, M; Trivedi, D; Hruby, VJ Structure-activity relationships of gamma-MSH analogues at the human melanocortin MC3, MC4, and MC5 receptors. Discovery of highly selective hMC3R, hMC4R, and hMC5R analogues. J Med Chem 46:4965-73 (2003) [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:
BDBM50134950
Synonyms:
CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Arg-D-Nal(2')-Asp-Arg-Phe-Gly-NH2
Type:
Small organic molecule
Emp. Form.:
C81H105N21O15
Mol. Mass.:
1612.8321
SMILES:
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Structure:
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