Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50181497
Substrate
n/a
Meas. Tech.
ChEMBL_330377 (CHEMBL870612)
Ki
40±n/a nM
Citation
 Hogan, K; Peluso, S; Gould, S; Parsons, I; Ryan, D; Wu, L; Visiers, I Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation. J Med Chem 49:911-22 (2006) [PubMed]  Article 
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:
Enzyme
Mol. Mass.:
36949.50
Organism:
Homo sapiens (Human)
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
  
Inhibitor
Name:
BDBM50181497
Synonyms:
CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-Arg-Trp-Thr-Ile-Pro]
Type:
Small organic molecule
Emp. Form.:
C68H88N16O14
Mol. Mass.:
1353.5251
SMILES:
CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)|
Structure:
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