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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	kynurenic acid
Molecular formula	C10H7NO3
IUPAC name	4-oxo-1H-quinoline-2-carboxylic acid
Molecular weight	189.17
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.3
Synonyms	SMR000112310 SR-01000075455 Tocris-0223 Z94602408 R1152 EINECS 207-751-5 HCZHHEIFKROPDY-UHFFFAOYSA- 2-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo- HY-100806 4-hydroxy-Quinaldic acid KBio1_000309 4-hydroxyquinolinium-2-carboxylate KS-00000G3H AB0025093 Lopac-K-3375 AKOS000277721 MolPort-002-469-388 BDBM81975 NCGC00015581-08 CCG-39280 NCGC00024505-07 CTK1D7115 PDSP1_000132 SBB003671 Spectrum2_001342 ST036704 Transtorine QC-8403 FT-0618747 HMS1921C20 4-HYDROXQUINOLINE-2-CARBOXYLIC ACID/KYNURENIC ACID IDI1_000309 4-Hydroxyquinaldic acid KBio2_006732 4-oxo-1H-quinoline-2-carboxylic acid Kynurenate AC1Q72XZ LS-141641 ANW-45658 NCGC00015581-03 BPBio1_001350 NCGC00024505-02 CHEBI:18344 NSC 58973 DB-081634 SCHEMBL22979 Spectrum5_001318 STL294769 W6496 Quinurenic acid GTPL2918 2-Carboxy-4-hydroxyquinoline HMS3266C13 4-Hydroxy-2-quinolinecarboxylic acid K 3375 4-hydroxyquinoline-2-carboxylate KBioSS_001596 6F535706-B297-4930-A3FC-7A2823830118 Kynurensaeure AK-26023 MLS002172436 BB 0262293 NCGC00015581-06 C10H7NO3 NCGC00024505-05 CS-W020664 NSC_5280455 DivK1c_000309 SPBio_001523 SR-01000075455-1 Tox21_500716 ZINC8584773 RTR-017779 EN300-13998 HCZHHEIFKROPDY-UHFFFAOYSA-N 2-Quinolinecarboxylicacid, 4-hydroxy- I04-5756 4-Hydroxy-quinoline-2-carboxylic acid KBio2_001596 4-Oxo-1,4-dihydro-quinoline-2-carboxylic acid KYA AB0097231 Lopac0_000716 ALBB-014130 NCGC00015581-01 Biomol-NT_000229 NCGC00015581-09 CCRIS 4428 NCGC00261401-01 D01SHB PDSP2_000131 SC-20062 Spectrum3_001390 ST066912 UNII-H030S2S85J Quinaldic acid, 4-hydroxy- FT-0683827 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid HMS2269G22 4-Hydroxy-2-chinolincarbonsaeure InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) 4-Hydroxyquinaldinate KBio3_002200 492-27-3 AE-641/00585057 MCULE-4310803796 ANW-59277 NCGC00015581-04 BSPBio_002980 NCGC00024505-03 NSC-58973 SMP1_000172 Spectrum_001116 STL301826 Z-8492 Quinurenic acid\|Kynurenate DTXSID8075417 H030S2S85J 2-Quinolinecarboxylic acid, 4-hydroxy- HMS500P11 4-hydroxy-Quinaldate KB-53045 4-Hydroxyquinoline-2-carboxylic acid Kinurenic acid Kynuronic acid AKOS000118368 MolPort-000-881-826 BBL027606 NCGC00015581-07 CAS_492-27-3 NCGC00024505-06 CTK0H6756 Oprea1_032085 s4719 SPECTRUM1500688 SR-01000075455-3 TR-035381 EU-0100716 HMS1736A10 I14-11091 4-Hydroxyquinaldate KBio2_004164 4-oxo-1,4-dihydroquinoline-2-carboxylic acid KYNA AC1L1GUE LP00716 AN-45278 NCGC00015581-02 bmse000410 NCGC00024505-01 CH-565 NINDS_000309 DB-008408 PubChem7255 SC-50442 Spectrum4_000814 ST24043960 UX00002048 Quinaldic acid, 4-hydroxy- (8CI) GS-3763 13593-94-7 HMS3262O13 4-Hydroxy-2-quinolincarboxylic acid J-006786 4-Hydroxyquinaldinic acid KBioGR_001327 593D947 Kynurenic acid, >=98% AJ-72562 MFCD00006753 B6227 NCGC00015581-05 C01717 NCGC00024505-04 CHEMBL299155 NSC58973 DB11937 [ Show all ]
Inchi Key	HCZHHEIFKROPDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
PubChem CID	3845
ChEMBL	CHEMBL299155
IUPHAR	2918
BindingDB	81975
DrugBank	DB11937
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	25.0 %	PMID23888932	ChEMBL
EC50	<500000.0 nM	PMID22572579	BindingDB,ChEMBL
EC50	38904.5 - 125893.0 nM	PMID16754668, PMID23396314	IUPHAR
EC50	39200.0 nM	PMID23888932	BindingDB,ChEMBL
EC50	152000.0 nM	PMID23888932, PMID22572579	BindingDB,ChEMBL
EC50	217000.0 nM	PMID23713606	BindingDB,ChEMBL
Efficacy	<60.0 %	PMID22572579	ChEMBL
Efficacy	202.0 %	PMID22572579	ChEMBL
Ki	137000.0 nM	PMID23888932	BindingDB,ChEMBL

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