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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.
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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	CHEMBL205594
Molecular formula	C25H32BrFN4O2
IUPAC name	2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-[(1-ethylpiperidin-4-yl)methyl]carbamimidoyl]-3-fluorobenzamide
Molecular weight	519.459
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.2
Synonyms	N-{2-[2-(5-bromo-2-methoxy-phenyl)-ethyl]-3-fluoro-benzoyl}-N''-(1-ethyl-piperidin-4-ylmethyl)-guanidine BDBM50182072
Inchi Key	AMXJMRXFZPRCQM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32BrFN4O2/c1-3-31-13-11-17(12-14-31)16-29-25(28)30-24(32)21-5-4-6-22(27)20(21)9-7-18-15-19(26)8-10-23(18)33-2/h4-6,8,10,15,17H,3,7,9,11-14,16H2,1-2H3,(H3,28,29,30,32)
PubChem CID	44410176
ChEMBL	CHEMBL205594
IUPHAR	N/A
BindingDB	50182072
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	97.0 nM	PMID16458508	BindingDB,ChEMBL
Ki	2.8 nM	PMID16458508	BindingDB,ChEMBL

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