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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	MLS002635606
Molecular formula	C22H15F3N2O2S
IUPAC name	2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
Molecular weight	428.429
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	cid_44601668 2-[(Z)-1-besyl-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-benzimidazole SMR001544541 2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole HMS3091N14 CHEMBL1698464 2-[(Z)-1-(phenylsulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole BDBM80062 [ Show all ]
Inchi Key	GFNKOHYICHFZDD-ZHZULCJRSA-N
Inchi ID	InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
PubChem CID	44601668
ChEMBL	CHEMBL1698464
IUPHAR	N/A
BindingDB	80062
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	9388.0 nM	PubChem BioAssay data set	ChEMBL

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