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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

NameCHEMBL2431132
Molecular formulaC23H26N4O4S
IUPAC name4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
Molecular weight454.545
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL15818954
BDBM50440740
MLS-0469656.0001
1-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-4-(phenylsulfonyl)piperazine
SMR003080914
[ Show all ]
Inchi KeyMHFYXZJTMQZPBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O4S/c1-30-20-14-18-19(15-21(20)31-2)24-22(16-8-9-16)25-23(18)26-10-12-27(13-11-26)32(28,29)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
PubChem CID56593283
ChEMBLCHEMBL2431132
IUPHARN/A
BindingDB50440740
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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