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GLASS

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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	CHEMBL211462
Molecular formula	C25H31F4N3O
IUPAC name	1-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
Molecular weight	465.537
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.8
Synonyms	(S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2-fluorophenyl)propan-1-one BDBM50189201
Inchi Key	AKQUFOFELDSFGJ-QFIPXVFZSA-N
Inchi ID	InChI=1S/C25H31F4N3O/c1-17(2)15-22(30)20-16-19(25(27,28)29)8-9-23(20)31-11-13-32(14-12-31)24(33)10-7-18-5-3-4-6-21(18)26/h3-6,8-9,16-17,22H,7,10-15,30H2,1-2H3/t22-/m0/s1
PubChem CID	44415369
ChEMBL	CHEMBL211462
IUPHAR	N/A
BindingDB	50189201
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	2800.0 nM	PMID16777413	BindingDB,ChEMBL

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