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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	CHEMBL402017
Molecular formula	C34H48ClN5O3
IUPAC name	N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-2-(methylamino)acetamide
Molecular weight	610.24
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50373499
Inchi Key	AFYRPFJWRJINKI-VATRQPNGSA-N
Inchi ID	InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)20-36-4)28-19-24(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-22-40(27-11-17-43-18-12-27)21-29(30)25-6-8-26(35)9-7-25/h5-10,19,23,27,29-30,33,36H,11-18,20-22H2,1-4H3,(H,37,41)/t29-,30+,33-/m0/s1
PubChem CID	44456137
ChEMBL	CHEMBL402017
IUPHAR	N/A
BindingDB	50373499
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	19.0 nM	PMID18032040	BindingDB,ChEMBL
Intrinsic activity	84.0 %	PMID18032040	ChEMBL
Ki	2.1 nM	PMID18032040	BindingDB,ChEMBL

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