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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

NameCHEMBL1778505
Molecular formulaC23H24N2O3
IUPAC name2-[(7R)-7-[methyl-(2-phenylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight376.456
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms{(7R)-7-[methyl(phenylacetyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
APOZPXDYEILLTC-QGZVFWFLSA-N
(R)-2-(7-(N-methyl-2-phenylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
BDBM50344168
SCHEMBL2188012
Inchi KeyAPOZPXDYEILLTC-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H24N2O3/c1-24(22(26)13-16-7-3-2-4-8-16)17-11-12-21-19(14-23(27)28)18-9-5-6-10-20(18)25(21)15-17/h2-10,17H,11-15H2,1H3,(H,27,28)/t17-/m1/s1
PubChem CID54582728
ChEMBLCHEMBL1778505
IUPHARN/A
BindingDB50344168
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID21515053BindingDB,ChEMBL

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