Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50301153
Substrate
n/a
Meas. Tech.
ChEMBL_598563 (CHEMBL1043555)
EC50
530±n/a nM
Citation
 Ruwe, AR; Koikov, L; Abdel-Malek, Z; Haskell-Luevano, C; Dirain, ML; Portillo, F; Xiang, Z; Wortman, M; Knittel, JJ Semi-rigid tripeptide agonists of melanocortin receptors. Bioorg Med Chem Lett 19:5176-81 (2009) [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:
BDBM50301153
Synonyms:
CHEMBL569222 | N-((S)-1-((R)-1-((S)-1-amino-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)-5-(benzo[d][1,3]dioxol-5-yl)pentanamide
Type:
Small organic molecule
Emp. Form.:
C33H43N9O6
Mol. Mass.:
661.7512
SMILES:
NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.19,-6.85,;9.85,-6.09,;9.86,-4.54,;8.51,-6.86,;7.17,-6.1,;5.85,-6.87,;4.51,-6.1,;4.51,-4.56,;3.18,-3.79,;1.85,-4.56,;1.85,-6.1,;.52,-3.78,;.52,-2.24,;-.82,-1.47,;-.82,.07,;-2.15,.84,;-3.49,.07,;-3.49,-1.47,;-2.15,-2.24,;-.82,-4.55,;-.81,-6.09,;.53,-6.86,;-2.14,-6.86,;-3.47,-6.09,;-4.8,-6.86,;-6.2,-6.23,;-7.24,-7.38,;-6.47,-8.71,;-4.97,-8.39,;-2.15,-8.4,;-.81,-9.16,;.52,-8.39,;-.81,-10.7,;-2.15,-11.47,;-2.15,-13.01,;-3.48,-13.78,;-3.48,-15.31,;-2.15,-16.06,;-2.14,-17.59,;-3.47,-18.37,;-3.78,-19.87,;-5.31,-20.03,;-5.93,-18.63,;-4.8,-17.6,;-4.79,-16.08,;5.85,-3.79,;7.18,-4.56,;5.85,-2.25,)|
Structure:
Search PDB for entries with ligand similarity: