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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL235358
Molecular formula	C33H43ClFN3O
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
Molecular weight	552.175
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	7.4
Synonyms	BDBM50217708 N-(2-chloro-6-fluorophenethyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
Inchi Key	CUTNJBIQWQWFPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H43ClFN3O/c34-30-7-4-8-31(35)29(30)19-20-38(27-17-13-24(14-18-27)21-23-11-15-26(36)16-12-23)33(39)10-3-5-25-22-37-32-9-2-1-6-28(25)32/h1-2,4,6-9,22-24,26-27,37H,3,5,10-21,36H2
PubChem CID	44434764
ChEMBL	CHEMBL235358
IUPHAR	N/A
BindingDB	50217708
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	2300.0 nM	PMID17618123	BindingDB,ChEMBL

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