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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

NameMLS-0437152.0001
Molecular formulaC21H20FN3O3
IUPAC name3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
Molecular weight381.407
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
Synonyms3-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-5-phenyl-1,3,4-oxadiazol-2(3H)-one
HMS3453G15
BDBM76056
MolPort-007-697-414
3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
[ Show all ]
Inchi KeyDUVOCISEPNTRPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN3O3/c22-17-8-6-15(7-9-17)14-19(26)24-12-10-18(11-13-24)25-21(27)28-20(23-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2
PubChem CID23612544
ChEMBLCHEMBL1736309
IUPHARN/A
BindingDB76056
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<32000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC50<32000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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