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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	CHEMBL262319
Molecular formula	C33H37Cl2F3N4O
IUPAC name	[4-[2-[(1S)-1-amino-2-methylpropyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[(3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl]methanone
Molecular weight	633.581
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	6.7
Synonyms	trans-(4-(2-((S)-1-amino-2-methylpropyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)((3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl)methanone BDBM50224679
Inchi Key	ACRMJAQSELDLDA-QXIHQKPUSA-N
Inchi ID	InChI=1S/C33H37Cl2F3N4O/c1-21(2)31(39)26-16-23(33(36,37)38)8-11-30(26)41-12-14-42(15-13-41)32(43)28-20-40(18-22-6-4-3-5-7-22)19-27(28)25-10-9-24(34)17-29(25)35/h3-11,16-17,21,27-28,31H,12-15,18-20,39H2,1-2H3/t27-,28+,31-/m0/s1
PubChem CID	44433564
ChEMBL	CHEMBL262319
IUPHAR	N/A
BindingDB	50224679
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	610.0 nM	PMID17933528	BindingDB,ChEMBL

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