Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50427684
Substrate
n/a
Meas. Tech.
ChEMBL_941843 (CHEMBL2329876)
EC50
15±n/a nM
Citation
 Singh, A; Dirain, M; Witek, R; Rocca, JR; Edison, AS; Haskell-Luevano, C Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R). J Med Chem 56:2747-63 (2013) [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:
BDBM50427684
Synonyms:
CHEMBL2323799
Type:
Small organic molecule
Emp. Form.:
C78H96N20O15S3
Mol. Mass.:
1649.917
SMILES:
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)|
Structure:
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