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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	CHEMBL3670935
Molecular formula	C28H38N4O3
IUPAC name	(2R)-3-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-4-hydroxypiperidin-1-yl]propane-1,2-diol
Molecular weight	478.637
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.2
Synonyms	US8748435, 6 BDBM123481 SCHEMBL12803056 SCHEMBL12803060
Inchi Key	UNCNIMAKVCFORU-QQHIZMLBSA-N
Inchi ID	InChI=1S/C28H38N4O3/c1-4-26-25(27-29-20(2)16-21(3)32(27)30-26)17-23-9-7-22(8-10-23)6-5-11-28(35)12-14-31(15-13-28)18-24(34)19-33/h5-10,16,24,33-35H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1
PubChem CID	68379380
ChEMBL	CHEMBL3670935
IUPHAR	N/A
BindingDB	123481
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	24.0 nM	, None	BindingDB,ChEMBL

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