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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

NameCHEMBL340073
Molecular formulaC17H24NO4S-
IUPAC name2-[2-[(pentylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
Molecular weight338.442
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsSodium; {2-[(pentane-1-sulfonylamino)-methyl]-indan-5-yl}-acetate
BDBM50075083
Inchi KeyAAXFWSSVYINXCB-UHFFFAOYSA-M
Inchi IDInChI=1S/C17H25NO4S/c1-2-3-4-7-23(21,22)18-12-14-9-15-6-5-13(11-17(19)20)8-16(15)10-14/h5-6,8,14,18H,2-4,7,9-12H2,1H3,(H,19,20)/p-1
PubChem CID91931041
ChEMBLN/A
IUPHARN/A
BindingDB50075083
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5077600.0 nMPMID10091692BindingDB

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