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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	CHEMBL3670932
Molecular formula	C25H32N4O
IUPAC name	4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperidin-4-ol
Molecular weight	404.558
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	SCHEMBL12802593 BDBM123478 US8748435, 3 CBCJTISJWHFCOC-AATRIKPKSA-N SCHEMBL12802589 4-{(E)-3-[4-(2-Ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-phenyl]-allyl}-piperidin-4-ol [ Show all ]
Inchi Key	CBCJTISJWHFCOC-AATRIKPKSA-N
Inchi ID	InChI=1S/C25H32N4O/c1-4-23-22(24-27-18(2)16-19(3)29(24)28-23)17-21-9-7-20(8-10-21)6-5-11-25(30)12-14-26-15-13-25/h5-10,16,26,30H,4,11-15,17H2,1-3H3/b6-5+
PubChem CID	68379125
ChEMBL	CHEMBL3670932
IUPHAR	N/A
BindingDB	123478
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	44.0 nM	, None	BindingDB,ChEMBL

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