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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	MLS000536463
Molecular formula	C23H23ClN2O6
IUPAC name	[2-(cycloheptylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
Molecular weight	458.895
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	MLS000536463-02 AKOS033616048 CHEMBL1376861 SMR000151440 (cycloheptylcarbamoyl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate MCULE-7837764820 [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate 721904-42-3 BDBM43379 MLS002633393 cid_2371253 Z18396243 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester [2-(cycloheptylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate AC1M6DU3 MolPort-005-889-293 HMS2396K11 ZINC3254519 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester [ Show all ]
Inchi Key	AWEVAFGPTHYXOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23ClN2O6/c24-19-12-11-15(13-20(19)26(30)31)22(28)17-9-5-6-10-18(17)23(29)32-14-21(27)25-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8,14H2,(H,25,27)
PubChem CID	2371253
ChEMBL	CHEMBL1376861
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	26557.0 nM	PubChem BioAssay data set	ChEMBL

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