Ki Summary

Reaction Details

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Target

Melanocortin receptor 3

Ligand

BDBM50301155

Substrate

n/a

Meas. Tech.

ChEMBL_598564 (CHEMBL1043556)

EC50

26±n/a nM

Citation

Ruwe, AR; Koikov, L; Abdel-Malek, Z; Haskell-Luevano, C; Dirain, ML; Portillo, F; Xiang, Z; Wortman, M; Knittel, JJ Semi-rigid tripeptide agonists of melanocortin receptors. Bioorg Med Chem Lett 19:5176-81 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

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:

BDBM50301155

Synonyms:

CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2

Type:

Small organic molecule

Emp. Form.:

C43H52N10O5

Mol. Mass.:

788.937

SMILES:

NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)|

Structure: