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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

NameRamatroban
Molecular formulaC21H21FN2O4S
IUPAC name3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Molecular weight416.467
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
Synonyms3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid
Tox21_112516_1
9H-Carbazole-9-propanoicacid, 3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-, (3R)-
AOB5536
Baynas
[ Show all ]
Inchi KeyLDXDSHIEDAPSSA-OAHLLOKOSA-N
Inchi IDInChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
PubChem CID123879
ChEMBLCHEMBL361812
IUPHAR1911, 1910
BindingDB50161746
DrugBankDB13036

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.4 nMPMID15715457BindingDB,ChEMBL
IC509.6 nMPMID15715457BindingDB,ChEMBL
IC5014.0 nMPMID19608418BindingDB,ChEMBL
Inhibition98.0 %PMID15745833ChEMBL
Ki0.58 nMPMID21106375ChEMBL
Ki0.58 nMPMID21106375BindingDB
Ki4.5 nMPMID15715457BindingDB,ChEMBL
Ki10.0 nMPMID1387312IUPHAR
Ki18.0 nMPMID15745833BindingDB,ChEMBL
Ki53.0 nMPMID21106375BindingDB

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