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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	CHEMBL226124
Molecular formula	C34H44F2N4
IUPAC name	1-[1-(4-fluorophenyl)-2-[4-[3-(4-fluoro-2-phenylphenyl)propyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
Molecular weight	546.751
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.4
Synonyms	(+/-)-1-[3-(5-fluorobiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-4-isopropylpiperazin-1-yl)ethyl]piperazine BDBM50202934
Inchi Key	DRSLEYLXVNRDKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H44F2N4/c1-27(2)39-21-23-40(24-22-39)34(30-11-13-31(35)14-12-30)26-38-19-17-37(18-20-38)16-6-9-29-10-15-32(36)25-33(29)28-7-4-3-5-8-28/h3-5,7-8,10-15,25,27,34H,6,9,16-24,26H2,1-2H3
PubChem CID	44423455
ChEMBL	CHEMBL226124
IUPHAR	N/A
BindingDB	50202934
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
IC50	33.0 nM	PMID17234422	BindingDB,ChEMBL

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