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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

NameCHEMBL147444
Molecular formulaC32H41N3O4
IUPAC name(E)-7-[4-[[3-(4-cyclohexylbutylamino)-3-oxoprop-1-en-2-yl]carbamoyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
Molecular weight531.697
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP7.3
Synonyms(E)-7-{4-[1-(4-Cyclohexyl-butylcarbamoyl)-vinylcarbamoyl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
BDBM50072783
SCHEMBL8073837
(E)-7-[4-[[[1-[[(4-cyclohexylbutyl)amino]carbonyl]-eth-1-enyl]amino]carbonyl]phenyl]-7-(3-pyridyl)-hept-6-enoic acid
AQQCPDIIPNDMEK-WKULSOCRSA-N
Inchi KeyAQQCPDIIPNDMEK-WKULSOCRSA-N
Inchi IDInChI=1S/C32H41N3O4/c1-24(31(38)34-22-9-8-13-25-11-4-2-5-12-25)35-32(39)27-19-17-26(18-20-27)29(28-14-10-21-33-23-28)15-6-3-7-16-30(36)37/h10,14-15,17-21,23,25H,1-9,11-13,16,22H2,(H,34,38)(H,35,39)(H,36,37)/b29-15+
PubChem CID44366527
ChEMBLCHEMBL147444
IUPHARN/A
BindingDB50072783
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
Kd27.3 nMPMID9876106BindingDB,ChEMBL

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