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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	MLS000528029
Molecular formula	C20H20N2O5S
IUPAC name	N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
Molecular weight	400.449
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.7
Synonyms	N-[2,5-diethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide cid_1374340 ZINC1223642 AKOS000718859 HMS3325E06 N-[2,5-diethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]furan-2-carboxamide Oprea1_698683 Furan-2-carboxylic acid {2,5-diethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-amide ASN 03019219 N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide CHEMBL1404955 SMR000120603 AC1LRNFG HMS2162E17 N-[2,5-diethoxy-4-(2-thenoylamino)phenyl]-2-furamide BDBM48458 [ Show all ]
Inchi Key	AGWFGPCZMMBBOZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
PubChem CID	1374340
ChEMBL	CHEMBL1404955
IUPHAR	N/A
BindingDB	48458
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	<89061.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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