Reaction Details  Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50592977
Substrate
n/a
Meas. Tech.
ChEMBL_2206711 (CHEMBL5119419)
Ki
49±n/a nM
Citation
 Reynaud, S; Laurin, SA; Ciolek, J; Barbe, P; Van Baelen, AC; Susset, M; Blondel, F; Ghazarian, M; Boeri, J; Vanden Driessche, M; Upert, G; Mourier, G; Kessler, P; Konnert, L; Beroud, R; Keck, M; Servent, D; Bouvier, M; Gilles, N From a Cone Snail Toxin to a Competitive MC4R Antagonist. J Med Chem 65:12084-12094 (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:
BDBM50592977
Synonyms:
CHEMBL5206293
Type:
Small organic molecule
Emp. Form.:
C138H198N36O30S4
Mol. Mass.:
2969.532
SMILES:
[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1 |r|
Structure:
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