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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

NameBDBM50353639
Molecular formulaC21H22ClNO4S
IUPAC name4-chloro-N-[2-[3-[(3-methyl-2,4-dioxocyclopentyl)methyl]phenyl]ethyl]benzenesulfonamide
Molecular weight419.92
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsN/A
Inchi KeyFLDMZMMLFJFITM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClNO4S/c1-14-20(24)13-17(21(14)25)12-16-4-2-3-15(11-16)9-10-23-28(26,27)19-7-5-18(22)6-8-19/h2-8,11,14,17,23H,9-10,12-13H2,1H3
PubChem CID91930813
ChEMBLN/A
IUPHARN/A
BindingDB50353639
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50131.0 nMPMID21863799BindingDB
Kd328.0 nMPMID21863799BindingDB

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