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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

NameCHEMBL1079732
Molecular formulaC22H13Cl4FN4O3S2
IUPAC name4,5-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
Molecular weight606.289
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.7
SynonymsBDBM50311612
4,5-dichloro-N-(5-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
Inchi KeyFKSFUQRGCQKPTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H13Cl4FN4O3S2/c1-10-8-31(9-11-2-3-12(23)4-16(11)24)19-14(10)5-13(27)6-15(19)21-28-22(29-34-21)30-36(32,33)18-7-17(25)20(26)35-18/h2-8H,9H2,1H3,(H,29,30)
PubChem CID46879719
ChEMBLCHEMBL1079732
IUPHARN/A
BindingDB50311612
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity2.0 %PMID19836233ChEMBL
Activity5.0 %PMID19836233ChEMBL
Activity98.0 %PMID19836233ChEMBL

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