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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

NameCHEMBL2392170
Molecular formulaC17H9BrClNO5
IUPAC name6-bromo-8-[(4-chlorobenzoyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight422.615
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
Synonyms4-Oxo-6-bromo-8-(p-chlorobenzoylamino)-2-chromene-2-carboxylic acid
BDBM50436012
Inchi KeyMNBKFBNIOCSONB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H9BrClNO5/c18-9-5-11-13(21)7-14(17(23)24)25-15(11)12(6-9)20-16(22)8-1-3-10(19)4-2-8/h1-7H,(H,20,22)(H,23,24)
PubChem CID71733747
ChEMBLCHEMBL2392170
IUPHARN/A
BindingDB50436012
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5025.0 nMPMID23713606, PMID23888932BindingDB
EC5025.1 nMPMID23713606, PMID23888932ChEMBL
EC5040.5 nMPMID23713606ChEMBL
EC5041.0 nMPMID23713606BindingDB
Emax115.0 %PMID23713606ChEMBL
Emax130.0 %PMID23713606ChEMBL
Ki4.79 nMPMID23888932ChEMBL
Ki4.8 nMPMID23888932BindingDB

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