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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-0435539.0001
Molecular formula	C22H28N2O5S2
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
Molecular weight	464.595
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	MCULE-6932739580 Z27831774 AKOS034028907 N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide CHEMBL1697974 N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide ZINC13164273 BDBM68313 N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide cid_16310040 N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxamide 920593-79-9 MolPort-004-195-537 N-(2-methoxy-5-morpholinosulfonyl-phenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide [ Show all ]
Inchi Key	DMFJVESKRGCNOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
PubChem CID	16310040
ChEMBL	CHEMBL1697974
IUPHAR	N/A
BindingDB	68313
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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