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GLASS

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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	MLS-0435573.0001
Molecular formula	C19H22N2O4S2
IUPAC name	N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Molecular weight	406.515
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	MolPort-002-287-015 N-[3-(4-morpholinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide MCULE-8525587192 AC1MH23Q N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide CHEMBL1714418 ZINC4749138 BDBM68330 N-(3-morpholinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide cid_2970280 [ Show all ]
Inchi Key	BAUQELIGAWYSBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2O4S2/c22-19(18-12-14-4-1-2-7-17(14)26-18)20-15-5-3-6-16(13-15)27(23,24)21-8-10-25-11-9-21/h3,5-6,12-13H,1-2,4,7-11H2,(H,20,22)
PubChem CID	2970280
ChEMBL	CHEMBL1714418
IUPHAR	N/A
BindingDB	68330
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	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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