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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

NameCHEMBL2431109
Molecular formulaC25H28N4O4
IUPAC name[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
Molecular weight448.523
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50440749
MLS-0469657.0001
SCHEMBL15818659
Inchi KeyFVWBKCQCHMXHOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O4/c1-31-20-7-5-4-6-17(20)25(30)29-12-10-28(11-13-29)24-18-14-21(32-2)22(33-3)15-19(18)26-23(27-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
PubChem CID56593279
ChEMBLCHEMBL2431109
IUPHARN/A
BindingDB50440749
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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