Ki Summary

Reaction Details

Report a problem with these data

Target

Melanocortin receptor 4

Ligand

BDBM50339346

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_736469 (CHEMBL1694297)

EC50

85±n/a nM

Citation

Singh, A; Wilczynski, A; Holder, JR; Witek, RM; Dirain, ML; Xiang, Z; Edison, AS; Haskell-Luevano, C Incorporation of a bioactive reverse-turn heterocycle into a peptide template using solid-phase synthesis to probe melanocortin receptor selectivity and ligand conformations by 2D 1H NMR. J Med Chem54:1379-90 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocortin receptor 4

Name:

Melanocortin receptor 4

Synonyms:

MC4-R | MC4R_MOUSE | Mc4r

Type:

PROTEIN

Mol. Mass.:

36964.43

Organism:

Mus musculus

Description:

ChEMBL_1498850

Residue:

332

Sequence:

MNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLL
ENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVN
IDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVS
GVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTN
MKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPL
IYALRSQELRKTFKEIICFYPLGGICELSSRY

BDBM50339346

n/a

Name

BDBM50339346

Synonyms:

(R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-22-((1H-imidazol-5-yl)methyl)-2-((1H-indol-3-yl)methyl)-5-(2-amino-2-oxoethyl)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-19-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-11,25-dibenzyl-31-(3-guanidinopropyl)-8-methyl-3,6,9,12,20,23,26,29,33-nonaoxo-16,17,35-trithia-1,4,7,10,13,21,24,27,30-nonaazabicyclo[26.4.4]hexatriacontane-14-carboxamide | CHEMBL1688110

Type

Small organic molecule

Emp. Form.

C77H94N20O15S3

Mol. Mass.

1635.89

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](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:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)|

Structure