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GLASS

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GPCR

Name	Taste receptor type 2 member 8
Species	Homo sapiens (Human)
Gene	TAS2R8
Synonym	T2R8 TAS2R8 Taste receptor family B member 5 taste receptor, type 2, member 8 TRB5
Disease	N/A
Length	309
Amino acid sequence	MFSPADNIFIILITGEFILGILGNGYIALVNWIDWIKKKKISTVDYILTNLVIARICLISVMVVNGIVIVLNPDVYTKNKQQIVIFTFWTFANYLNMWITTCLNVFYFLKIASSSHPLFLWLKWKIDMVVHWILLGCFAISLLVSLIAAIVLSCDYRFHAIAKHKRNITEMFHVSKIPYFEPLTLFNLFAIVPFIVSLISFFLLVRSLWRHTKQIKLYATGSRDPSTEVHVRAIKTMTSFIFFFFLYYISSILMTFSYLMTKYKLAVEFGEIAAILYPLGHSLILIVLNNKLRQTFVRMLTCRKIACMI
UniProt	Q9NYW2
Protein Data Bank	N/A
GPCR-HGmod model	Q9NYW2
3D structure model	This predicted structure model is from GPCR-EXP Q9NYW2.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3988599
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL1615598
Molecular formula	C21H23N5O5
IUPAC name	1-[(2,3-dihydroxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
Molecular weight	425.445
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.4
Synonyms	BDBM211392 US9247759, 12-43 CHEMBL3926477
Inchi Key	BFBRLCWLVFUVJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N5O5/c1-12-16(13(2)31-23-12)11-24-10-15(8-22-24)26-19(29)21(3,4)25(20(26)30)9-14-6-5-7-17(27)18(14)28/h5-8,10,27-28H,9,11H2,1-4H3
PubChem CID	53373847
ChEMBL	CHEMBL3926477
IUPHAR	N/A
BindingDB	211392
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	100.0 nM	None	ChEMBL
IC50	100.0 nM	N/A	BindingDB

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