Ki Summary

Reaction Details

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Target

Melanocortin receptor 4

Ligand

BDBM50310316

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_608234 (CHEMBL1072423)

EC50

2250±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

BDBM50310316

n/a

Name

BDBM50310316

Synonyms:

2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexaazacyclohenicosan-4-yl)acetamide | CHEMBL602852

Type

Small organic molecule

Emp. Form.

C44H55N11O7

Mol. Mass.

849.977

SMILES

NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)|

Structure