Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50427691
Substrate
n/a
Meas. Tech.
ChEMBL_941842 (CHEMBL2329833)
EC50
1900±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:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R_MOUSE | Mc3r
Type:
PROTEIN
Mol. Mass.:
35808.24
Organism:
Mus musculus
Description:
ChEMBL_1498848
Residue:
323
Sequence:
MNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFIIYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNSMNLG
  
Inhibitor
Name:
BDBM50427691
Synonyms:
CHEMBL2323790
Type:
Small organic molecule
Emp. Form.:
C76H94N18O15S3
Mol. Mass.:
1595.866
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]2CCCN2C(=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:87.93,73.78,5.5,37.38,13.13,57.65,wD:102.110,64.106,69.90,46.49,26.28,1.0,(17.33,-11.78,;18.68,-12.54,;20,-11.77,;21.34,-12.53,;21.35,-14.07,;22.68,-11.76,;24.01,-12.53,;24.01,-14.07,;25.35,-14.83,;22.69,-14.84,;22.67,-10.22,;24,-9.44,;25.34,-10.21,;24.02,-7.88,;25.35,-7.12,;26.64,-7.97,;28.07,-7.44,;29.02,-8.65,;28.17,-9.93,;28.55,-11.41,;27.46,-12.48,;25.97,-12.07,;25.6,-10.59,;26.69,-9.51,;22.67,-7.12,;22.68,-5.58,;21.35,-4.82,;22.68,-4.06,;24.02,-4.83,;25.35,-4.06,;26.68,-4.84,;28.02,-4.07,;29.36,-4.85,;28.03,-2.52,;21.35,-3.29,;20.03,-2.52,;20.04,-.97,;18.68,-3.27,;18.68,-4.81,;20.02,-5.58,;20.02,-7.13,;21.36,-7.9,;21.36,-9.44,;17.36,-2.51,;16.03,-3.27,;14.7,-2.5,;16.03,-4.81,;14.69,-5.58,;13.35,-4.8,;13.36,-3.27,;12.04,-2.49,;10.69,-3.26,;10.7,-4.8,;12.03,-5.58,;17.35,-5.59,;12.54,-11.3,;11.5,-12.48,;12.04,-9.81,;12.93,-8.55,;12.01,-7.31,;10.54,-7.81,;10.56,-9.35,;9.32,-10.27,;7.99,-9.5,;9.33,-11.81,;10.67,-12.57,;10.67,-14.11,;12.01,-14.88,;12.01,-16.42,;13.35,-17.18,;14.69,-16.41,;16.02,-17.18,;16.02,-18.72,;17.35,-16.4,;18.69,-17.17,;18.7,-18.71,;17.36,-19.48,;17.37,-21.02,;18.71,-21.78,;20.04,-21,;20.03,-19.47,;17.35,-14.86,;18.68,-14.08,;20.01,-14.85,;13.36,-18.72,;14.7,-19.5,;12.02,-19.5,;12.03,-21.04,;13.37,-21.81,;13.38,-23.35,;12.04,-24.12,;12.05,-25.66,;13.39,-26.43,;13.39,-27.97,;14.72,-25.64,;14.71,-24.11,;10.7,-21.82,;10.71,-23.36,;9.36,-21.05,;8,-12.58,;8.01,-14.13,;9.34,-14.89,;6.67,-14.9,;5.33,-14.14,;6.68,-16.44,;5.34,-17.22,;4.01,-16.46,;2.68,-17.23,;2.68,-18.77,;1.34,-19.54,;4.01,-19.54,;5.35,-18.76,)|
Structure:
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