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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

Namedicumarol
Molecular formulaC19H12O6
IUPAC name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Molecular weight336.299
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
Synonymss4299
Spectrum3_000387
STK801287
UNII-7QID3E7BG7
LS-55258
[ Show all ]
Inchi KeyDOBMPNYZJYQDGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
PubChem CID54676038
ChEMBLCHEMBL1466
IUPHARN/A
BindingDB35525
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC501300.0 nMPMID23888932BindingDB,ChEMBL
EC509780.0 nMPMID23888932BindingDB,ChEMBL
Emax107.0 %PMID23888932ChEMBL
Ki39.0 nMPMID23888932BindingDB,ChEMBL

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