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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	MLS000699691
Molecular formula	C22H21ClN2O5
IUPAC name	5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
Molecular weight	428.869
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide cid_6874399 5-[(2-chloranylphenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methyl-phenyl)methylideneamino]furan-2-carboxamide AK-968/40642442 MolPort-019-751-929 ST026034 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methyl-benzylidene)amino]-2-furamide N-[(1E)-2-(2,4-dimethoxy-3-methylphenyl)-1-azavinyl]{5-[(2-chlorophenoxy)methy l](2-furyl)}carboxamide 5-[(2-chlorophenoxy)methyl]-N'-(2,4-dimethoxy-3-methylbenzylidene)-2-furohydrazide AKOS003302279 STK452595 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-furancarboxamide CHEMBL1994163 AC1OB7KD MolPort-001-567-059 SMR000227699 5-[(2-chlorophenoxy)methyl]-N'-[(E)-(2,4-dimethoxy-3-methylphenyl)methylidene]furan-2-carbohydrazide BDBM88459 [ Show all ]
Inchi Key	ALSZPRQIWXWJGV-WYMPLXKRSA-N
Inchi ID	InChI=1S/C22H21ClN2O5/c1-14-18(27-2)10-8-15(21(14)28-3)12-24-25-22(26)20-11-9-16(30-20)13-29-19-7-5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
PubChem CID	6874399
ChEMBL	CHEMBL1994163
IUPHAR	N/A
BindingDB	88459
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<89207.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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