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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

NameMLS000834951
Molecular formulaC14H13F2N5O2S
IUPAC namemethyl 1-(2,4-difluorophenyl)-5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
Molecular weight353.348
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsCCG-256204
methyl 1-[2,4-bis(fluoranyl)phenyl]-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
CHEMBL1716874
MLS003177460
methyl 1-(2,4-difluorophenyl)-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
[ Show all ]
Inchi KeyCZWSVMYPLKKOOE-CNHKJKLMSA-N
Inchi IDInChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)/b18-7+
PubChem CID9581008
ChEMBLCHEMBL1716874
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501107.14 nMPubChem BioAssay data setChEMBL
IC502290.0 nMPubChem BioAssay data setChEMBL
IC502490.0 nMPubChem BioAssay data setChEMBL

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