Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50130011
Substrate
n/a
Meas. Tech.
ChEBML_105860
IC50
10000±n/a nM
Citation
 Fotsch, C; Smith, DM; Adams, JA; Cheetham, J; Croghan, M; Doherty, EM; Hale, C; Jarosinski, MA; Kelly, MG; Norman, MH; Tamayo, NA; Xi, N; Baumgartner, JW Design of a new peptidomimetic agonist for the melanocortin receptors based on the solution structure of the peptide ligand, Ac-Nle-cyclo[Asp-Pro-DPhe-Arg-Trp-Lys]-NH(2). Bioorg Med Chem Lett 13:2337-40 (2003) [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:
BDBM50130011
Synonyms:
(S)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-ethyl]-amino}-cyclohexyl)-N-(4-amino-butyl)-3-phenyl-propionamide | CHEMBL307857
Type:
Small organic molecule
Emp. Form.:
C33H45N5O3
Mol. Mass.:
559.7421
SMILES:
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wU:4.3,(14.76,-.51,;13.43,-1.29,;13.44,-2.84,;12.09,-.54,;10.76,-1.32,;10.76,-2.86,;11.54,-4.19,;10.76,-5.52,;11.51,-6.84,;13.03,-6.85,;13.8,-5.53,;13.05,-4.19,;9.41,-.57,;9.4,.97,;8.09,-1.36,;6.74,-.59,;6.72,.95,;5.39,1.71,;5.36,3.25,;4.02,4.01,;8.1,-2.91,;7.33,-4.26,;5.61,-3.63,;4.43,-4.05,;5.19,-2.7,;6.83,-3.33,;3.09,-3.28,;1.76,-4.05,;1.75,-5.6,;.41,-6.37,;-1,-5.73,;-2.03,-6.87,;-1.26,-8.21,;-1.75,-9.66,;-.72,-10.81,;.78,-10.5,;1.26,-9.03,;.24,-7.9,;3.09,-1.74,;1.76,-.97,;4.43,-.97,)|
Structure:
Search PDB for entries with ligand similarity: