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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Melanocortin receptor 4
Species	Homo sapiens (Human)
Gene	MC4R
Synonym	MC4-R MC4 receptor
Disease	Obesity; Sexual dysfunction Obesity; Diabetes Obesity Metabolic disorders Sexual dysfunction Sexual dysfunction; Obesity Female sexual dysfunction Erectile dysfunction Cachexia Anorexia nervosa cachexia [ Show all ]
Length	332
Amino acid sequence	MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProt	P32245
Protein Data Bank	N/A
GPCR-HGmod model	P32245
3D structure model	This predicted structure model is from GPCR-EXP P32245.
BioLiP	N/A
Therapeutic Target Database	T72458
ChEMBL	CHEMBL259
IUPHAR	285
DrugBank	N/A

Ligand

Name	CHEMBL467586
Molecular formula	C28H38Cl2N4O3
IUPAC name	N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chloro-2-methoxyphenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
Molecular weight	549.537
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50261228 1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-4-chlorophenyl}-4-[(2R)-methyl-3-(2-methoxy-4-dichlorophenyl)propionyl]piperazine
Inchi Key	CETOWTIWZXCWLA-WINIVTDRSA-N
Inchi ID	InChI=1S/C28H38Cl2N4O3/c1-18(2)27(32-26(35)17-31-4)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)19(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-16,18-19,27,31H,10-14,17H2,1-5H3,(H,32,35)/t19-,27+/m1/s1
PubChem CID	44577092
ChEMBL	CHEMBL467586
IUPHAR	N/A
BindingDB	50261228
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Emax	15.0 %	PMID18417348	ChEMBL
IC50	290.0 nM	PMID18417348	BindingDB,ChEMBL
Ki	1.1 nM	PMID18417348	BindingDB,ChEMBL

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