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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3670930
Molecular formula	C29H38N4O3
IUPAC name	tert-butyl 4-[(E)-2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethenyl]-4-hydroxypiperidine-1-carboxylate
Molecular weight	490.648
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM123476 SCHEMBL12802480 US8748435, 1
Inchi Key	AQGKSOBZBXOUSV-OUKQBFOZSA-N
Inchi ID	InChI=1S/C29H38N4O3/c1-7-25-24(26-30-20(2)18-21(3)33(26)31-25)19-23-10-8-22(9-11-23)12-13-29(35)14-16-32(17-15-29)27(34)36-28(4,5)6/h8-13,18,35H,7,14-17,19H2,1-6H3/b13-12+
PubChem CID	68379060
ChEMBL	CHEMBL3670930
IUPHAR	N/A
BindingDB	123476
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	45.0 nM	, None	BindingDB,ChEMBL

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