Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50427690
Substrate
n/a
Meas. Tech.
ChEMBL_941842 (CHEMBL2329833)
EC50
10350±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:
BDBM50427690
Synonyms:
CHEMBL2323791
Type:
Small organic molecule
Emp. Form.:
C73H92N20O15S3
Mol. Mass.:
1585.832
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]2CCCN2C(=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:86.92,72.77,5.5,53.57,37.38,13.13,wD:101.109,63.105,68.89,26.28,1.0,46.53,(40.41,-24.22,;41.75,-24.98,;43.08,-24.21,;44.42,-24.97,;44.43,-26.51,;45.75,-24.2,;47.09,-24.97,;47.09,-26.51,;48.43,-27.27,;45.76,-27.28,;45.74,-22.66,;47.08,-21.88,;48.42,-22.65,;47.09,-20.32,;48.42,-19.56,;49.71,-20.41,;51.15,-19.88,;52.1,-21.09,;51.25,-22.37,;51.63,-23.85,;50.53,-24.92,;49.05,-24.51,;48.68,-23.03,;49.77,-21.95,;45.75,-19.56,;45.76,-18.02,;44.42,-17.26,;45.76,-16.5,;47.1,-17.26,;48.42,-16.5,;49.76,-17.28,;51.09,-16.51,;52.43,-17.29,;51.1,-14.96,;44.43,-15.73,;43.1,-14.96,;43.11,-13.42,;41.76,-15.71,;41.75,-17.22,;43.09,-18.02,;43.1,-19.57,;44.43,-20.34,;44.44,-21.88,;40.44,-14.95,;39.07,-15.72,;37.77,-14.94,;38.98,-17.27,;40.26,-18.11,;39.85,-19.59,;38.32,-19.65,;37.79,-18.22,;35.11,-19.61,;36.39,-20.38,;33.73,-20.39,;32.37,-19.62,;32.37,-18.05,;31.09,-17.13,;31.57,-15.63,;33.14,-15.63,;33.63,-17.12,;33.73,-21.93,;32.4,-22.71,;31.06,-21.94,;32.41,-24.25,;33.74,-25.01,;33.75,-26.55,;35.08,-27.32,;35.09,-28.86,;36.43,-29.62,;37.76,-28.85,;39.1,-29.62,;39.1,-31.16,;40.43,-28.84,;41.76,-29.61,;41.77,-31.15,;40.44,-31.92,;40.45,-33.46,;41.79,-34.22,;43.12,-33.44,;43.11,-31.91,;40.43,-27.3,;41.75,-26.52,;43.09,-27.29,;36.44,-31.16,;37.77,-31.93,;35.1,-31.94,;35.11,-33.48,;36.45,-34.25,;36.46,-35.79,;35.12,-36.56,;35.12,-38.1,;36.46,-38.86,;36.47,-40.4,;37.8,-38.08,;37.79,-36.55,;33.77,-34.26,;33.78,-35.8,;32.44,-33.49,;31.07,-25.02,;31.08,-26.57,;32.42,-27.33,;29.75,-27.34,;28.41,-26.57,;29.75,-28.88,;28.42,-29.65,;27.08,-28.89,;25.75,-29.67,;25.76,-31.2,;24.42,-31.98,;27.09,-31.98,;28.43,-31.2,)|
Structure:
Search PDB for entries with ligand similarity: