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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	MLS002156773
Molecular formula	C23H20FN5O2S
IUPAC name	4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-ylquinazoline
Molecular weight	449.504
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.3
Synonyms	AKOS021972774 SMR001239275 4-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(pyridin-3-yl)quinazoline HMS3051P06 AB00755236-01 MolPort-004-179-077 Z31102959 4-{4-[(4-fluorophenyl)sulfonyl]piperazino}-2-(3-pyridyl)quinazoline MCULE-5749552167 AB00755236-06 NCGC00287735-01 CHEMBL1494017 ZINC13117401 920911-45-1 [ Show all ]
Inchi Key	AIEZKTDMVNDTBE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20FN5O2S/c24-18-7-9-19(10-8-18)32(30,31)29-14-12-28(13-15-29)23-20-5-1-2-6-21(20)26-22(27-23)17-4-3-11-25-16-17/h1-11,16H,12-15H2
PubChem CID	16319239
ChEMBL	CHEMBL1494017
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	<64578.0 nM	PubChem BioAssay data set	ChEMBL

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