Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50427682
Substrate
n/a
Meas. Tech.
ChEMBL_941843 (CHEMBL2329876)
EC50
80±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:
BDBM50427682
Synonyms:
CHEMBL2323529
Type:
Small organic molecule
Emp. Form.:
C69H89N19O15S3
Mol. Mass.:
1520.758
SMILES:
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)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:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)|
Structure:
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