Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50217659
Substrate
n/a
Meas. Tech.
ChEMBL_448689 (CHEMBL896689)
Ki
1300±n/a nM
Citation
 Mutulis, F; Kreicberga, J; Yahorava, S; Mutule, I; Borisova-Jan, L; Yahorau, A; Muceniece, R; Azena, S; Veiksina, S; Petrovska, R; Wikberg, JE Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem 15:5787-810 (2007) [PubMed]  Article 
Target
Name:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MSHR_MOUSE | Mc1r | Melanocortin receptor 1 | Melanocyte-stimulating hormone receptor | Msh-r
Type:
PROTEIN
Mol. Mass.:
35238.60
Organism:
Mus musculus
Description:
ChEMBL_1498846
Residue:
315
Sequence:
MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
  
Inhibitor
Name:
BDBM50217659
Synonyms:
CHEMBL237504 | N-{4-[(4-aminocyclohexyl)methyl]cyclohexyl}-4-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]butanamide
Type:
Small organic molecule
Emp. Form.:
C33H45N3O
Mol. Mass.:
499.7299
SMILES:
Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(11.51,-19.5,;12.85,-20.25,;14.18,-19.46,;15.53,-20.21,;15.54,-21.75,;16.89,-22.5,;18.21,-21.71,;18.18,-20.16,;19.52,-19.37,;19.5,-17.81,;18.15,-17.05,;18.13,-15.51,;19.45,-14.73,;20.79,-15.49,;22.12,-14.71,;22.11,-13.17,;23.43,-12.39,;20.77,-12.42,;19.44,-13.2,;16.81,-17.84,;16.82,-19.41,;19.56,-22.47,;19.59,-24.03,;20.89,-21.68,;22.23,-22.41,;23.56,-21.64,;24.92,-22.37,;26.32,-21.73,;27.36,-22.86,;26.6,-24.2,;27.09,-25.65,;26.09,-26.8,;24.58,-26.5,;24.09,-25.05,;25.09,-23.9,;14.22,-22.54,;12.88,-21.79,)|
Structure:
Search PDB for entries with ligand similarity: