Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMelanocortin receptor 4
LigandBDBM50152796
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303254 (CHEMBL826380)
Ki 25±n/a nM
Citation Pontillo, JTran, JAArellano, MFleck, BAHuntley, RMarinkovic, DLanier, MNelson, JParker, JSaunders, JTucci, FCJiang, WChen, CWWhite, NSFoster, ACChen, C Structure-activity relationships of piperazinebenzylamines as potent and selective agonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett14:4417-23 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Melanocortin receptor 4
Name:Melanocortin receptor 4
Synonyms:MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:Enzyme
Mol. Mass.:36949.50
Organism:Homo sapiens (Human)
Description:P32245
Residue:332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLL
ENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVN
IDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVS
GILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGAN
MKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPL
IYALRSQELRKTFKEIICCYPLGGLCDLSSRY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50152796
n/a
NameBDBM50152796
Synonyms:1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-2-(4-{2-[1-(4-amino-cyclohexylamino)-ethyl]-phenyl}-piperazin-1-yl)-1-(4-chloro-benzyl)-2-oxo-ethyl]-amide | CHEMBL366321
TypeSmall organic molecule
Emp. Form.C37H47ClN6O2
Mol. Mass.643.261
SMILESCC(NC1CCC(N)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |wU:24.36,36.39,(-2.68,1.48,;-4,2.25,;-4,3.77,;-5.35,4.52,;-5.37,6.09,;-6.7,6.83,;-8.04,6.07,;-9.36,6.81,;-8.02,4.52,;-6.67,3.75,;-5.33,1.48,;-6.67,2.24,;-8.02,1.48,;-8.02,-.05,;-6.67,-.81,;-5.33,-.05,;-4,-.81,;-4,-2.34,;-2.66,-3.09,;-1.31,-2.34,;-1.31,-.81,;-2.66,-.05,;.01,-3.09,;.01,-4.62,;1.37,-2.35,;1.37,-.81,;2.12,.5,;1.33,1.8,;2.1,3.12,;3.65,3.15,;4.39,4.48,;4.45,1.83,;3.67,.51,;2.7,-3.12,;4.04,-2.35,;4.04,-.84,;5.39,-3.12,;6.71,-2.37,;8.06,-3.14,;9.38,-2.37,;10.72,-3.14,;10.72,-4.67,;9.38,-5.43,;8.06,-4.66,;6.71,-5.41,;5.38,-4.65,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: