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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-0435537.0001
Molecular formulaC21H26N2O5S2
IUPAC nameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
Molecular weight450.568
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsN-(2-methoxy-5-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
MCULE-9145343109
Z27833867
N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
AKOS000942599
[ Show all ]
Inchi KeyBZXFRVYHKUFYBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
PubChem CID16305071
ChEMBLCHEMBL1733898
IUPHARN/A
BindingDB68311
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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