Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50427692
Substrate
n/a
Meas. Tech.
ChEMBL_941843 (CHEMBL2329876)
EC50
1.9±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:
BDBM50427692
Synonyms:
CHEMBL2323789
Type:
Small organic molecule
Emp. Form.:
C80H96N18O15S3
Mol. Mass.:
1645.925
SMILES:
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)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:91.97,77.82,5.5,57.61,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(18.6,-47.18,;19.95,-47.95,;21.28,-47.18,;22.61,-47.94,;22.62,-49.48,;23.95,-47.16,;25.29,-47.93,;25.29,-49.47,;26.62,-50.23,;23.96,-50.24,;23.94,-45.62,;25.28,-44.84,;26.61,-45.61,;25.29,-43.29,;26.62,-42.52,;27.91,-43.38,;29.35,-42.85,;30.3,-44.06,;29.44,-45.34,;29.83,-46.81,;28.73,-47.88,;27.25,-47.48,;26.87,-45.99,;27.96,-44.92,;23.95,-42.52,;23.96,-40.99,;22.62,-40.22,;23.96,-39.46,;25.29,-40.23,;26.62,-39.47,;27.96,-40.24,;29.29,-39.48,;30.63,-40.25,;29.3,-37.93,;22.62,-38.7,;21.3,-37.92,;21.31,-36.38,;19.95,-38.68,;19.96,-40.22,;21.29,-40.99,;21.29,-42.54,;22.63,-43.3,;22.63,-44.84,;18.63,-37.91,;17.3,-38.68,;15.97,-37.91,;17.3,-40.22,;15.96,-40.99,;14.63,-40.21,;14.64,-38.67,;13.31,-37.89,;11.96,-38.66,;11.97,-40.21,;13.3,-40.98,;18.63,-40.99,;13.31,-42.58,;14.59,-43.34,;11.92,-43.36,;10.57,-42.58,;9.77,-41.21,;10.57,-39.84,;9.77,-38.47,;8.18,-38.47,;7.39,-39.86,;8.2,-41.22,;11.93,-44.9,;10.6,-45.67,;9.26,-44.9,;10.6,-47.21,;11.94,-47.98,;11.94,-49.52,;13.28,-50.29,;13.29,-51.83,;14.62,-52.59,;15.96,-51.81,;17.3,-52.58,;17.3,-54.12,;18.62,-51.8,;19.96,-52.57,;19.97,-54.11,;18.64,-54.89,;18.64,-56.42,;19.98,-57.19,;21.32,-56.41,;21.31,-54.87,;18.62,-50.26,;19.95,-49.49,;21.29,-50.26,;14.63,-54.13,;15.97,-54.9,;13.3,-54.91,;13.31,-56.45,;14.64,-57.22,;14.65,-58.76,;13.31,-59.53,;13.32,-61.07,;14.66,-61.83,;14.66,-63.37,;15.99,-61.05,;15.98,-59.51,;11.97,-57.22,;11.98,-58.76,;10.63,-56.45,;9.27,-47.98,;9.28,-49.53,;10.61,-50.29,;7.94,-50.3,;6.61,-49.54,;7.95,-51.84,;6.62,-52.62,;5.28,-51.86,;3.95,-52.63,;3.95,-54.17,;2.61,-54.95,;5.29,-54.95,;6.62,-54.17,)|
Structure:
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