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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	CHEMBL232775
Molecular formula	C29H49N5O2
IUPAC name	2-(2-methoxyethylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
Molecular weight	499.744
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.6
Synonyms	SCHEMBL13124470 BDBM50215834 N,N-diisopentyl-2-(2-methoxyethylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
Inchi Key	ANEGFCALWBSPHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H49N5O2/c1-23(2)12-19-33(20-13-24(3)4)28(35)25-10-11-26-27(22-25)34(29(31-26)30-14-21-36-5)18-9-17-32-15-7-6-8-16-32/h10-11,22-24H,6-9,12-21H2,1-5H3,(H,30,31)
PubChem CID	44432958
ChEMBL	CHEMBL232775
IUPHAR	N/A
BindingDB	50215834
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	77.62 nM	PMID17574418	ChEMBL
Ki	78.0 nM	PMID17574418	BindingDB,ChEMBL

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