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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	MLS002473569
Molecular formula	C22H18N2O3S2
IUPAC name	5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole
Molecular weight	422.517
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM88491 cid_44202221 5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methylimidazole 5-[2-[2-(4-mesylphenyl)-5-methoxy-benzothiophen-3-yl]ethynyl]-1-methyl-imidazole HMS2200F15 SMR001397736 CHEMBL1707272 5-[2-[5-methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]ethynyl]-1-methyl-imidazole HMS3331D09 [ Show all ]
Inchi Key	AAHMFTBCVJDHBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18N2O3S2/c1-24-14-23-13-16(24)6-10-19-20-12-17(27-2)7-11-21(20)28-22(19)15-4-8-18(9-5-15)29(3,25)26/h4-5,7-9,11-14H,1-3H3
PubChem CID	44202221
ChEMBL	CHEMBL1707272
IUPHAR	N/A
BindingDB	88491
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	<89187.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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