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GPCR

NameThromboxane A2 receptor
SpeciesHomo sapiens (Human)
GeneTBXA2R
SynonymTP receptor
TXA2-R
prostanoid TP receptor
DiseaseDiabetic neuropathy
Cardiovascular disorder
Erectile dysfunction
Perennial allergic rhinitis
Peripheral vascular disease
[ Show all ]
Length343
Amino acid sequenceMWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
UniProtP21731
Protein Data Bank6iiv, 6iiu
GPCR-HGmod modelP21731
3D structure modelThis structure is from PDB ID 6iiv.
BioLiPBL0436518, BL0436517, BL0436516, BL0436515, BL0436514, BL0436513
Therapeutic Target DatabaseT76198
ChEMBLCHEMBL2069
IUPHAR346
DrugBankBE0000759

Ligand

NameCHEMBL395079
Molecular formulaC18H21N3O6S
IUPAC name1-tert-butyl-3-[2-(3-methylphenoxy)-5-nitrophenyl]sulfonylurea
Molecular weight407.441
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL17446913
BDBM50218130
N-tert-butyl-N''-[2-(3-methylphenoxy)-5-nitrobenzenesulfonyl]-urea
Inchi KeyALLZPGRYVWREKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O6S/c1-12-6-5-7-14(10-12)27-15-9-8-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
PubChem CID16757377
ChEMBLCHEMBL395079
IUPHARN/A
BindingDB50218130
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5017.0 nMPMID17630727BindingDB,ChEMBL
IC50398.0 nMPMID17630727BindingDB,ChEMBL
Ratio IC5023.2 -PMID17630727ChEMBL

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