Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50301126
Substrate
n/a
Meas. Tech.
ChEMBL_598563 (CHEMBL1043555)
EC50
1160±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:
BDBM50301126
Synonyms:
(S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide | CHEMBL566150
Type:
Small organic molecule
Emp. Form.:
C30H36FN9O4
Mol. Mass.:
605.6631
SMILES:
NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)|
Structure:
Search PDB for entries with ligand similarity: