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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

NameCHEMBL2431123
Molecular formulaC25H33N5O3
IUPAC name2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-N,N-dimethylethanamine
Molecular weight451.571
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.8
SynonymsSCHEMBL15819631
BDBM50440781
MLS-0471472.0001
Inchi KeyRRQMTTVLMMRAEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N5O3/c1-28(2)11-10-24-26-19-17-23(33-5)22(32-4)16-18(19)25(27-24)30-14-12-29(13-15-30)20-8-6-7-9-21(20)31-3/h6-9,16-17H,10-15H2,1-5H3
PubChem CID56593274
ChEMBLCHEMBL2431123
IUPHARN/A
BindingDB50440781
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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