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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL237070
Molecular formula	C32H42FN3O
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
Molecular weight	503.706
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	6.3
Synonyms	BDBM50217786 N-(2-fluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
Inchi Key	AMKOEUKZHYTCTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2
PubChem CID	44434695
ChEMBL	CHEMBL237070
IUPHAR	N/A
BindingDB	50217786
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
Ki	3700.0 nM	PMID17618123	BindingDB,ChEMBL

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