Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50592979
Substrate
n/a
Meas. Tech.
ChEMBL_2206710 (CHEMBL5119418)
Ki
98±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 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50592979
Synonyms:
CHEMBL5192562
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](CCC(N)=O)NC(=O)[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)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1
Structure:
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