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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	MLS-0413566.0001
Molecular formula	C19H20N2O7S
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
Molecular weight	420.436
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.3
Synonyms	781620-73-3 MCULE-5638404505 N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide ZINC9510255 BDBM68295 MolPort-004-277-143 cid_3921758 N-(2-methoxy-5-morpholinosulfonyl-phenyl)-piperonylamide AC1N0RPR SMR001239066 N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide HMS3056B21 N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide AKOS000942564 MLS002156562 Z27833386 CHEMBL1398414 N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide [ Show all ]
Inchi Key	BMMHBSOMJGUCFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
PubChem CID	3921758
ChEMBL	CHEMBL1398414
IUPHAR	N/A
BindingDB	68295
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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