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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	SMR000131790
Molecular formula	C23H16N2O4
IUPAC name	(3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one
Molecular weight	384.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	AKOS003221962 HMS644F04 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-2-pyrrolone CB06365 cid_5346268 SR-01000415359-1 BDBM55412 MLS000521382 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-pyrrol-2-one SMSF0011405 AC1NT6FQ HMS2458A11 ZINC5073018 (3E)-1-(4-hydroxyphenyl)-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-2-one BIM-0004097.P001 MolPort-006-780-803 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one CHEMBL1491719 SR-01000415359 [ Show all ]
Inchi Key	GQDXXWHROQBAHL-NBVRZTHBSA-N
Inchi ID	InChI=1S/C23H16N2O4/c26-21-12-10-19(11-13-21)24-22(17-4-2-1-3-5-17)15-18(23(24)27)14-16-6-8-20(9-7-16)25(28)29/h1-15,26H/b18-14+
PubChem CID	5346268
ChEMBL	CHEMBL1491719
IUPHAR	N/A
BindingDB	55412
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<64564.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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