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Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50217705
Substrate
n/a
Meas. Tech.
ChEMBL_448689 (CHEMBL896689)
Ki
1400±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:
BDBM50217705
Synonyms:
CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
Type:
Small organic molecule
Emp. Form.:
C40H48N4O2
Mol. Mass.:
616.8347
SMILES:
NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)|
Structure:
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