Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50301137
Substrate
n/a
Meas. Tech.
ChEMBL_598563 (CHEMBL1043555)
EC50
420±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:
BDBM50301137
Synonyms:
(S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-methoxyphenyl)acrylamido)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide | CHEMBL567233
Type:
Small organic molecule
Emp. Form.:
C31H39N9O5
Mol. Mass.:
617.6987
SMILES:
COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(10.35,-58.71,;9.02,-57.94,;9.02,-56.41,;7.69,-55.64,;7.69,-54.11,;9.03,-53.35,;9.03,-51.82,;7.7,-51.05,;7.7,-49.51,;9.04,-48.74,;6.36,-48.75,;6.38,-47.21,;5.04,-46.44,;3.71,-47.21,;2.31,-46.58,;1.27,-47.73,;2.04,-49.06,;3.55,-48.74,;7.71,-46.44,;9.04,-47.21,;7.7,-44.9,;9.03,-44.13,;9.03,-42.59,;7.69,-41.83,;7.69,-40.29,;6.36,-39.51,;5.03,-40.29,;5.03,-41.83,;6.36,-42.59,;10.36,-44.91,;10.36,-46.45,;11.69,-44.14,;13.03,-44.91,;13.03,-46.45,;14.36,-47.22,;15.69,-46.45,;17.03,-47.21,;18.36,-46.44,;19.7,-47.2,;18.37,-44.9,;14.36,-44.14,;15.69,-44.91,;14.36,-42.6,;10.35,-54.11,;10.35,-55.63,)|
Structure:
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