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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	2,4-Dinitro-benzoic acid 3-(morpholine-4-carbothioyl)-phenyl ester
Molecular formula	C18H15N3O7S
IUPAC name	[3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate
Molecular weight	417.392
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	HMS2924N07 STL382848 AC1MJHYK MolPort-001-939-994 SR-01000317620 MCULE-1305104915 ZINC13590265 AKOS000592332 Oprea1_382067 CHEMBL1548455 SR-01000317620-1 3-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate MLS001222346 [3-(morpholine-4-carbothioyl)phenyl] 2,4-dinitrobenzoate BAS 00607867 SMR000607969 [ Show all ]
Inchi Key	AMIVWHGPYKDMKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15N3O7S/c22-18(15-5-4-13(20(23)24)11-16(15)21(25)26)28-14-3-1-2-12(10-14)17(29)19-6-8-27-9-7-19/h1-5,10-11H,6-9H2
PubChem CID	3112747
ChEMBL	CHEMBL1548455
IUPHAR	N/A
BindingDB	N/A
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	<64618.0 nM	PubChem BioAssay data set	ChEMBL

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