Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50592990
Substrate
n/a
Meas. Tech.
ChEMBL_2206711 (CHEMBL5119419)
Ki
89±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] 
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:
BDBM50592990
Synonyms:
CHEMBL5186603
Type:
Small organic molecule
Emp. Form.:
C147H215N39O34
Mol. Mass.:
3072.5209
SMILES:
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1Cc2ccccc2N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(O)=O)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)C1=O |r|
Structure:
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