Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50301138
Substrate
n/a
Meas. Tech.
ChEMBL_598563 (CHEMBL1043555)
EC50
780±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:
BDBM50301138
Synonyms:
(S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-nitrophenyl)acrylamido)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide | CHEMBL568341
Type:
Small organic molecule
Emp. Form.:
C30H36N10O6
Mol. Mass.:
632.6702
SMILES:
NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(30.91,-4.51,;29.58,-3.74,;29.58,-2.2,;28.24,-4.51,;26.91,-3.75,;25.59,-4.52,;24.25,-3.75,;24.25,-2.21,;22.91,-1.44,;21.58,-2.21,;21.58,-3.75,;20.25,-1.44,;20.25,.1,;18.91,.87,;18.91,2.41,;17.58,3.18,;16.24,2.41,;16.24,.87,;17.58,.1,;18.91,-2.2,;18.92,-3.74,;20.25,-4.52,;17.59,-4.52,;16.25,-3.74,;14.92,-4.52,;13.52,-3.88,;12.48,-5.04,;13.25,-6.37,;14.76,-6.05,;17.58,-6.06,;18.91,-6.82,;20.25,-6.05,;18.91,-8.36,;17.58,-9.13,;17.58,-10.67,;16.24,-11.43,;16.24,-12.97,;17.57,-13.74,;18.91,-12.96,;18.91,-11.43,;17.58,-15.29,;16.25,-16.06,;18.92,-16.06,;25.59,-1.44,;26.91,-2.21,;25.59,.1,)|
Structure:
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