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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

NameCHEMBL3221199
Molecular formulaC21H19ClN2O2S
IUPAC name(2Z)-2-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
Molecular weight398.905
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsN/A
Inchi KeyDFGYYJBCGOVQHP-UYRXBGFRSA-N
Inchi IDInChI=1S/C21H19ClN2O2S/c22-17-7-3-6-16(11-17)14-26-18-8-4-5-15(12-18)13-19-20(25)24-9-1-2-10-27-21(24)23-19/h3-8,11-13H,1-2,9-10,14H2/b19-13-
PubChem CID90667661
ChEMBLCHEMBL3221199
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
Activity-3.0 %MedChemComm, (2014) 5:5:632ChEMBL
EC50<10000.0 nMMedChemComm, (2014) 5:5:632ChEMBL
IC50<10000.0 nMMedChemComm, (2014) 5:5:632ChEMBL
Inhibition25.0 %MedChemComm, (2014) 5:5:632ChEMBL

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