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GPCR

NameG-protein coupled receptor 35
SpeciesHomo sapiens (Human)
GeneGPR35
SynonymG-protein coupled receptor 3
GPR35
KYNA receptor
Kynurenic acid receptor
DiseaseN/A
Length309
Amino acid sequenceMNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProtQ9HC97
Protein Data BankN/A
GPCR-HGmod modelQ9HC97
3D structure modelThis predicted structure model is from GPCR-EXP Q9HC97.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1293267
IUPHAR102
DrugBankBE0005562

Ligand

NameCHEMBL2431117
Molecular formulaC24H30N4O3
IUPAC name6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylquinazoline
Molecular weight422.529
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
SynonymsMLS004254799
SCHEMBL15818556
BDBM50440774
MLS-0469653.0001
1-{4-[6,7-dimethoxy-2-(methylethyl)quinazolin-4-yl]piperazinyl}-2-methoxybenzene
[ Show all ]
Inchi KeyQPUARXBBBJKJPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O3/c1-16(2)23-25-18-15-22(31-5)21(30-4)14-17(18)24(26-23)28-12-10-27(11-13-28)19-8-6-7-9-20(19)29-3/h6-9,14-16H,10-13H2,1-5H3
PubChem CID54758539
ChEMBLCHEMBL2431117
IUPHARN/A
BindingDB50440774
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<40000.0 nMPMID24611085BindingDB,ChEMBL

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