Reaction Details  Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50603808
Substrate
n/a
Meas. Tech.
ChEMBL_2245286 (CHEMBL5159496)
IC50
>1000±n/a nM
Citation
 Tomassi, S; Dimmito, MP; Cai, M; D'Aniello, A; Del Bene, A; Messere, A; Liu, Z; Zhu, T; Hruby, VJ; Stefanucci, A; Cosconati, S; Mollica, A; Di Maro, S CLIPSing Melanotan-II to Discover Multiple Functionally Selective hMCR Agonists. J Med Chem 65:4007-4017 (2022) [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:
BDBM50603808
Synonyms:
CHEMBL5206941
Type:
Small organic molecule
Emp. Form.:
C58H78N14O8S2
Mol. Mass.:
1163.459
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(CSC1(C)C)c2 |r|
Structure:
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