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GLASS

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GPCR

Name	G-protein coupled receptor 4
Species	Homo sapiens (Human)
Gene	GPR4
Synonym	G-protein coupled receptor 19 GPR19 GPR4
Disease	N/A
Length	362
Amino acid sequence	MGNHTWEGCHVDSRVDHLFPPSLYIFVIGVGLPTNCLALWAAYRQVQQRNELGVYLMNLSIADLLYICTLPLWVDYFLHHDNWIHGPGSCKLFGFIFYTNIYISIAFLCCISVDRYLAVAHPLRFARLRRVKTAVAVSSVVWATELGANSAPLFHDELFRDRYNHTFCFEKFPMEGWVAWMNLYRVFVGFLFPWALMLLSYRGILRAVRGSVSTERQEKAKIKRLALSLIAIVLVCFAPYHVLLLSRSAIYLGRPWDCGFEERVFSAYHSSLAFTSLNCVADPILYCLVNEGARSDVAKALHNLLRFLASDKPQEMANASLTLETPLTSKRNSTAKAMTGSWAATPPSQGDQVQLKMLPPAQ
UniProt	P46093
Protein Data Bank	N/A
GPCR-HGmod model	P46093
3D structure model	This predicted structure model is from GPCR-EXP P46093.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3638324
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL9129857
Molecular formula	C22H28N4O2
IUPAC name	tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate
Molecular weight	380.492
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	CHEMBL3731111
Inchi Key	IMCJIYOSGJPSKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N4O2/c1-7-18-25-19-14(2)12-15(3)23-20(19)26(18)13-16-8-10-17(11-9-16)24-21(27)28-22(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,27)
PubChem CID	10068354
ChEMBL	CHEMBL3731111
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
Inhibition	77.0 %	None	ChEMBL

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