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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	CHEMBL361210
Molecular formula	C35H44ClN5O2
IUPAC name	N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]-3-phenylpropanamide
Molecular weight	602.22
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	5.1
Synonyms	BDBM50160542 N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-(4-{2-[1-(piperidin-3-ylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-3-phenyl-propionamide
Inchi Key	AGLVBYARDIXEPC-AKLHMHDGSA-N
Inchi ID	InChI=1S/C35H44ClN5O2/c1-26(38-30-10-7-19-37-25-30)31-11-5-6-12-33(31)40-20-22-41(23-21-40)35(43)32(24-28-13-16-29(36)17-14-28)39-34(42)18-15-27-8-3-2-4-9-27/h2-6,8-9,11-14,16-17,26,30,32,37-38H,7,10,15,18-25H2,1H3,(H,39,42)/t26?,30?,32-/m1/s1
PubChem CID	44391404
ChEMBL	CHEMBL361210
IUPHAR	N/A
BindingDB	50160542
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
IA	31.0 %	PMID15664867	ChEMBL
Ki	33.0 nM	PMID15664867	BindingDB,ChEMBL

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