Ki Summary

Reaction Details

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Target

Melanocortin receptor 4

Ligand

BDBM50310321

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_608234 (CHEMBL1072423)

EC50

1370±n/a nM

Citation

Ovadia, O; Linde, Y; Haskell-Luevano, C; Dirain, ML; Sheynis, T; Jelinek, R; Gilon, C; Hoffman, A The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem18:580-9 (2010) [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

BDBM50310321

n/a

Name

BDBM50310321

Synonyms:

2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosan-4-yl)acetamide | CHEMBL602652

Type

Small organic molecule

Emp. Form.

C43H53N11O7

Mol. Mass.

835.9504

SMILES

NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)|

Structure