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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

NameCHEMBL1417160
Molecular formulaC23H27N5O2
IUPAC name2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
Molecular weight405.502
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsMLS-0232587.0001
SCHEMBL15819960
2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
MLS000699291
AC1LNZT8
[ Show all ]
Inchi KeyGPLGXZOMVXBMDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O2/c1-29-19-14-17-18(15-20(19)30-2)25-22(16-6-5-7-16)26-23(17)28-12-10-27(11-13-28)21-8-3-4-9-24-21/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3
PubChem CID1230851
ChEMBLCHEMBL1417160
IUPHARN/A
BindingDB50440758
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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