Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50565819
Substrate
n/a
Meas. Tech.
ChEMBL_2093916 (CHEMBL4775179)
Ki
0.134896±n/a nM
Citation
 Martin, C; Gimenez, LE; Williams, SY; Jing, Y; Wu, Y; Hollanders, C; Van der Poorten, O; Gonzalez, S; Van Holsbeeck, K; Previti, S; Lamouroux, A; Zhao, S; Tourwé, D; Stevens, RC; Cone, RD; Ballet, S Structure-Based Design of Melanocortin 4 Receptor Ligands Based on the SHU-9119-hMC4R Cocrystal Structure?. J Med Chem 64:357-369 (2021) [PubMed]  Article 
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:
BDBM50565819
Synonyms:
CHEMBL4794168
Type:
Small organic molecule
Emp. Form.:
C55H71N17O8
Mol. Mass.:
1098.2613
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Structure:
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