Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50565828
Substrate
n/a
Meas. Tech.
ChEMBL_2093917 (CHEMBL4775180)
Ki
0.015136±n/a nM
Citation
 Martin, C; Gimenez, LE; Williams, SY; Jing, Y; Wu, Y; Hollanders, C; Van der Poorten, O; Gonzalez, S; Van Holsbeeck, K; Previti, S; Lamouroux, A; Zhao, S; Tourwé, D; Stevens, RC; Cone, RD; Ballet, S Structure-Based Design of Melanocortin 4 Receptor Ligands Based on the SHU-9119-hMC4R Cocrystal Structure?. J Med Chem 64:357-369 (2021) [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:
BDBM50565828
Synonyms:
CHEMBL4798971
Type:
Small organic molecule
Emp. Form.:
C54H70FN15O9
Mol. Mass.:
1092.2271
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Structure:
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