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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

NameCHEMBL379736
Molecular formulaC19H30N4O5S
IUPAC name1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-hexylurea
Molecular weight426.532
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50188620
N-n-hexyl-N''-[2-(cyclohexylamino)-5-nitrobenzenesulfonyl]urea
Inchi KeyACMVNXRJVDQYIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
PubChem CID11604299
ChEMBLCHEMBL379736
IUPHARN/A
BindingDB50188620
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity42.5 %PMID16759113ChEMBL
Activity44.2 %PMID16759113ChEMBL
IC500.71 nMPMID16759113BindingDB,ChEMBL
IC501.07 nMPMID16759113BindingDB,ChEMBL
IC5046.17 nMPMID16759113BindingDB,ChEMBL
IC5081.22 nMPMID16759113BindingDB,ChEMBL
Ratio IC500.67 -PMID16759113ChEMBL
Ratio IC501.76 -PMID16759113ChEMBL

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