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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	MLS000416520
Molecular formula	C21H19BrN2O6S2
IUPAC name	[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
Molecular weight	539.415
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.1
Synonyms	CHEMBL1470802 [2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate MCULE-5896462857 BDBM88607 SMR000243419 2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetic acid [2-(4-bromoanilino)-2-keto-ethyl] ester cid_2577649 [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoate AC1M979B ZINC3457271 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetic acid [2-(4-bromoanilino)-2-oxoethyl] ester HMS2529F18 AKOS007950197 MolPort-005-843-983 [ Show all ]
Inchi Key	AOGPKUWIJLMYCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19BrN2O6S2/c1-24(32(27,28)21-3-2-12-31-21)17-8-10-18(11-9-17)29-14-20(26)30-13-19(25)23-16-6-4-15(22)5-7-16/h2-12H,13-14H2,1H3,(H,23,25)
PubChem CID	2577649
ChEMBL	CHEMBL1470802
IUPHAR	N/A
BindingDB	88607
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<64583.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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