Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50581314
Substrate
n/a
Meas. Tech.
ChEMBL_2150520 (CHEMBL5034982)
EC50
0.131826±n/a nM
Citation
 Durek, T; Kaas, Q; White, AM; Weidmann, J; Fuaad, AA; Cheneval, O; Schroeder, CI; de Veer, SJ; Dellsén, A; Österlund, T; Larsson, N; Knerr, L; Bauer, U; Plowright, AT; Craik, DJ Melanocortin 1 Receptor Agonists Based on a Bivalent, Bicyclic Peptide Framework. J Med Chem 64:9906-9915 (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:
BDBM50581314
Synonyms:
CHEMBL5090946
Type:
Small organic molecule
Emp. Form.:
C87H114N26O15S2
Mol. Mass.:
1828.131
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2)[C@@H](C)O |r|
Structure:
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