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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2035943
Molecular formula	C28H35ClN4O2
IUPAC name	(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxamide
Molecular weight	495.064
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50385163
Inchi Key	ACNAIGITXKGCML-XBCLTQTASA-N
Inchi ID	InChI=1S/C28H35ClN4O2/c29-23-8-4-7-22(13-23)14-30-27(34)25-18-33(16-21-9-10-21)19-26(25)28(35)31-24-11-12-32(17-24)15-20-5-2-1-3-6-20/h1-8,13,21,24-26H,9-12,14-19H2,(H,30,34)(H,31,35)/t24?,25-,26+/m0/s1
PubChem CID	70688111
ChEMBL	CHEMBL2035943
IUPHAR	N/A
BindingDB	50385163
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	400.0 nM	PMID22551631	BindingDB,ChEMBL

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