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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	MLS000778974
Molecular formula	C17H13F3N2O3
IUPAC name	4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Molecular weight	350.297
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	4-(4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol AC1NWN1Y EU-0039436 MLS000778974-02 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol AKOS002228672 HMS2743K09 SMR000415669 3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AB00114303-01 CHEMBL1460039 MLS-0392664.0001 ZINC85382232 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone 4-[4-(4-Methoxy-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzene-1,3-diol AC1O9FFO F0758-0081 MolPort-000-811-251 (4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzene-1,3-diol BDBM61556 IFLab1_003427 ST50471194 394237-70-8 AC1NUKIQ cid_5732140 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzenediol AC1Q4A45 HMS1421L17 MolPort-001-818-970 (4Z)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one MCULE-2287753261 STK829623 [ Show all ]
Inchi Key	FVVBPMRBFOQCQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13F3N2O3/c1-25-11-5-2-9(3-6-11)14-15(21-22-16(14)17(18,19)20)12-7-4-10(23)8-13(12)24/h2-8,23-24H,1H3,(H,21,22)
PubChem CID	1322439
ChEMBL	CHEMBL1460039
IUPHAR	N/A
BindingDB	61556
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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