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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	G-protein coupled receptor 35
Species	Homo sapiens (Human)
Gene	GPR35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A
Length	309
Amino acid sequence	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProt	Q9HC97
Protein Data Bank	N/A
GPCR-HGmod model	Q9HC97
3D structure model	This predicted structure model is from GPCR-EXP Q9HC97.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293267
IUPHAR	102
DrugBank	BE0005562

Ligand

Name	CHEMBL1914584
Molecular formula	C11H9N3O
IUPAC name	2-(3-cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile
Molecular weight	199.213
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	0.4
Synonyms	2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene]propanedinitrile FT-0700832 2-(3-cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile DTXSID60433759 ZINC73195712 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)malononitrile FT-0700830 2-(3-cyano-4,5,5-trimethyl-5H-furan-2-ylidene)-malononitrile Propanedinitrile, (3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)- 171082-32-9 2-dicyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran FLMBQNOAWLPZPJ-UHFFFAOYSA-N 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene)propanedinitrile BDBM50357195 FT-0700831 2-(3-cyano-4,5,5-trimethyl-5H-furan-2-ylidene)malononitrile CTK0E4728 SCHEMBL404983 2-(3-cyano-4,5,5-trimethyl-2(5H)-furanylidene) propanedinitrile 3-cyano-2-dicyanomethylen-4,5,5-trimethyl-2,5-dihydrofuran FT-0700827 [ Show all ]
Inchi Key	FLMBQNOAWLPZPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H9N3O/c1-7-9(6-14)10(8(4-12)5-13)15-11(7,2)3/h1-3H3
PubChem CID	9990345
ChEMBL	CHEMBL1914584
IUPHAR	N/A
BindingDB	50357195
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	87.0 %	PMID21950657	ChEMBL
EC50	<50000.0 nM	PMID21950657	BindingDB,ChEMBL
EC50	17100.0 nM	PMID21950657	BindingDB,ChEMBL
IC50	12100.0 nM	PMID21950657	BindingDB,ChEMBL

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