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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL394160
Molecular formula	C29H40ClFN4O
IUPAC name	[4-[2-[(1S)-1-amino-2-methylpropyl]-6-fluorophenyl]piperazin-1-yl]-[(3S,4R)-4-(4-chlorophenyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
Molecular weight	515.114
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50224673 (4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isobutylpyrrolidin-3-yl)methanone
Inchi Key	AAQQSWWMBVNKIB-WEWMWRJBSA-N
Inchi ID	InChI=1S/C29H40ClFN4O/c1-19(2)16-33-17-24(21-8-10-22(30)11-9-21)25(18-33)29(36)35-14-12-34(13-15-35)28-23(27(32)20(3)4)6-5-7-26(28)31/h5-11,19-20,24-25,27H,12-18,32H2,1-4H3/t24-,25+,27-/m0/s1
PubChem CID	44433475
ChEMBL	CHEMBL394160
IUPHAR	N/A
BindingDB	50224673
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
EC50	1400.0 nM	PMID17933528	BindingDB,ChEMBL
Intrinsic activity	52.0 %	PMID17933528	ChEMBL
Ki	43.0 nM	PMID17933528	BindingDB,ChEMBL

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