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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	zaprinast
Molecular formula	C13H13N5O2
IUPAC name	5-(2-propoxyphenyl)-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Molecular weight	271.28
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.6
Synonyms	NCGC00024894-04 BRD-K16542329-001-05-1 Pharmakon1600-01501199 CCG-220335 SCHEMBL50328 D00YPW Spectrum3_000933 FT-0675894 HMS2096C11 2-(2-Propoxyphenyl)-8-aza-6-purinone IDI1_000584 KBioSS_001745 5-(2-propoxyphenyl)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol M&B 22948 6,7-Dihydro-5-(2-propoxyphenyl)-1H-triazolo(4,5-d)pyrimidin-7-on [IUPAC] NCGC00016105-01 AKOS027446368 Zaprinast, solid SR-01000075536 Tox21_110306_1 B6516 NCGC00094481-02 BSPBio_000369 Prestwick2_000335 CHEBI:92215 SMR000326822 DSSTox_GSID_45224 Spectrum_001265 HMS1569C11 1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one HMS3267G07 2-(2-Propyloxyphenyl)-8-azapurin-6-one KBio2_001745 3,6-Dihydro-5-(o-propoxyphenyl)-7H-v-triazolo(4,5-d)pyrimidin-7-one LP01240 5-(2-propoxyphenyl)-2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one MFCD00214073 AB00052245_02 NCGC00016105-04 ZINC14953365 SR-01000075536-5 Z 0878 NCGC00024894-02 BPBio1_000407 NSC-757885 CAS-37762-06-4 REZGGXNDEMKIQB-UHFFFAOYSA-N CTK5A3076 SPECTRUM1501199 EINECS 253-655-1 HMS1989D10 1,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5d]pyrimidine-7-one HMS3713C11 2-o-Propoxyphenyl-8-azapurine-6-one KBio3_001966 5-(2-Propoxy-phenyl)-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one M and B 22948 55122-20-8 MolPort-003-983-815 ACM37762064 Tocris-0947 Zaprinast [BAN:INN] AOB5951 NCGC00024894-08 BRD-K16542329-001-08-5 Prestwick0_000335 CCG-222544 SCHEMBL6913739 DivK1c_000584 Spectrum4_001032 GTPL2919 1,4-Dihydro-5-(2-propoxyphenyl)-1,2,3-triazolo(4,5-d)pyrimidin-7-one HMS2235N23 2-(2-propoxyphenyl)-8-azahypoxanthine IN1012 3,6-Dihydro-5-(2-propoxyphenyl)-7H-(1,2,3)truaziki(4,5-d)pyrimidin-7-on Lopac-Z-0878 5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one M&B-22948 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 1,4-dihydro-5-(2-propoxyphenyl)- NCGC00016105-02 Zaprinastum SR-01000075536-1 Tox21_501240 BCBcMAP01_000103 NCGC00261925-01 BSPBio_001348 Prestwick3_000335 SPBio_001313 DSSTox_RID_80761 HMS1791D10 1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidine-7-one HMS3370J04 2-(o-Propoxyphenyl)-8-azapurin-6-one KBio2_004313 3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one LS-156833 5-(2-propoxyphenyl)-3,6-dihydrotriazolo[4,5-d]pyrimidin-7-one MLS000859963 AC1L1KZQ NCGC00016105-05 SR-01000597480 NCGC00024894-03 BRD-K12516989-001-01-9 NSC757885 CCG-205314 SBI-0051207.P002 CTK8G3814 Spectrum2_001447 EU-0101240 HMS2090L04 HMS501N06 2103AH KBioGR_001583 5-(2-Propoxyphenyl)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(4H)-one M&B 22,948 6,7-Dihydro-5-(2-propoxyphenyl)-1H-triazolo(4,5-d)pyrimidin-7-on MolPort-004-964-803 AKOS024458708 Zaprinast [INN:BAN] Tox21_110306 API0000888 NCGC00094481-01 BS0209 Prestwick1_000335 CCG-39177 SMP1_000321 DSSTox_CID_25224 Spectrum5_001023 GXT25D5DS0 1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one HMS3263H22 2-(2-propoxyphenyl)-8-azapurin-6-one KBio1_000584 3,6-dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one Lopac0_001240 5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one M&B22948 8-Aza-2-(2-propoxyphenyl)-6-purinone NCGC00016105-03 Zaprinastum [INN-Latin] SR-01000075536-4 UNII-GXT25D5DS0 NCGC00024894-01 BDBM14363 NINDS_000584 C13H13N5O2 Prestwick_655 CHEMBL28079 SPBio_002290 DTXSID8045224 HMS1921P15 1,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5-d]pyrimidine-7-one HMS3402D10 2-o-Propoxyphenyl-8-azapurin-6-on KBio2_006881 37762-06-4 M & B 22948 5-(2-propoxyphenyl)-3H,4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one MolPort-003-666-387 AC1Q6AZY SR-01000597480-1 Zaprinast (M&B 22948) [ Show all ]
Inchi Key	REZGGXNDEMKIQB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
PubChem CID	135399235
ChEMBL	CHEMBL28079
IUPHAR	2919
BindingDB	14363
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	110.0 nM	MedChemComm, (2012) 3:10:1270	ChEMBL
EC50	130.0 nM	PMID23888932	BindingDB,ChEMBL
EC50	140.0 nM	PMID24900508	BindingDB,ChEMBL
EC50	160.0 nM	PMID24900447, PMID22572579, PMID21950657	BindingDB,ChEMBL
EC50	794.328 nM	PMID16934253	IUPHAR
EC50	1960.0 nM	PMID23713606	BindingDB,ChEMBL
EC50	2240.0 nM	PMID23713606	BindingDB,ChEMBL
EC50	3250.0 nM	MedChemComm, (2012) 3:10:1270	ChEMBL
EC50	4200.0 nM	PMID21950657	BindingDB,ChEMBL
EC50	5300.0 nM	PMID24900508	BindingDB,ChEMBL
EC50	6100.0 nM	PMID24900447	BindingDB,ChEMBL
EC50	6200.0 nM	PMID22572579	BindingDB,ChEMBL
Efficacy	254.0 pM	MedChemComm, (2012) 3:10:1270	ChEMBL
Efficacy	269.0 picometer	PMID24900447	ChEMBL
IC50	1220.0 nM	PMID24900447, PMID21950657	BindingDB,ChEMBL
IC50	10500.0 nM	PMID21950657	BindingDB,ChEMBL
Ki	401.0 nM	PMID23888932	BindingDB,ChEMBL
Ratio	12.8 -	PMID24900447	ChEMBL

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