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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

NameCHEMBL2431233
Molecular formulaC24H27FN4O2
IUPAC name2-cyclobutyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
Molecular weight422.504
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50440764
MLS-0463026.0001
SCHEMBL15819832
Inchi KeyGNFDMFYTUKMSND-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27FN4O2/c1-30-21-14-17-19(15-22(21)31-2)26-23(16-6-5-7-16)27-24(17)29-12-10-28(11-13-29)20-9-4-3-8-18(20)25/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3
PubChem CID52914822
ChEMBLCHEMBL2431233
IUPHARN/A
BindingDB50440764
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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