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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

NameCHEMBL2431232
Molecular formulaC25H30N4O2
IUPAC name2-cyclobutyl-6,7-dimethoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinazoline
Molecular weight418.541
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50440768
MLS-0454701.0001
SCHEMBL15821073
Inchi KeyQAHFFKCDOYHKTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O2/c1-17-7-4-5-10-21(17)28-11-13-29(14-12-28)25-19-15-22(30-2)23(31-3)16-20(19)26-24(27-25)18-8-6-9-18/h4-5,7,10,15-16,18H,6,8-9,11-14H2,1-3H3
PubChem CID51035373
ChEMBLCHEMBL2431232
IUPHARN/A
BindingDB50440768
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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