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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

NameCHEMBL131497
Molecular formulaC22H20NO4S-
IUPAC name2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
Molecular weight394.465
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsSodium; {2-[(naphthalene-2-sulfonylamino)-methyl]-indan-5-yl}-acetate
BDBM50075077
Inchi KeyAUGFRAXHMKPAMH-UHFFFAOYSA-M
Inchi IDInChI=1S/C22H21NO4S/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21/h1-9,13,16,23H,10-12,14H2,(H,24,25)/p-1
PubChem CID91931035
ChEMBLN/A
IUPHARN/A
BindingDB50075077
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50950.0 nMPMID10091692BindingDB

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