Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50427679
Substrate
n/a
Meas. Tech.
ChEMBL_941843 (CHEMBL2329876)
EC50
20±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:
BDBM50427679
Synonyms:
CHEMBL2323787
Type:
Small organic molecule
Emp. Form.:
C81H97N19O15S3
Mol. Mass.:
1672.95
SMILES:
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=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:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)|
Structure:
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