Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameThromboxane A2 receptor
SpeciesMus musculus (Mouse)
GeneTbxa2r
SynonymProstanoid TP receptor
TP receptor
TXA2-R
DiseaseN/A for non-human GPCRs
Length341
Amino acid sequenceMWPNGTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAIVASQHAALLDWRATDPSCRLCYFMGVAMVFFGLCPLLLGAAMASERFVGITRPFSRPTATSRRAWATVGLVWVAAGALGLLPLLGLGRYSVQYPGSWCFLTLGTQRGDVVFGLIFALLGSASVGLSLLLNTVSVATLCRVYHTREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFIMQTLLQTPPVMSFSGQLLRATEHQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFSSQLQAVSLRRPPAQAMLSGP
UniProtP30987
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1795181
IUPHAR346
DrugBankN/A

Ligand

NameCHEMBL2315057
Molecular formulaC27H21Cl2FN2O4S
IUPAC name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide
Molecular weight559.433
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50424382
Inchi KeyNVPDIBBYSPFSSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H21Cl2FN2O4S/c1-17-5-10-23(11-6-17)37(34,35)32-27(33)25-4-2-3-22(31-25)14-19-13-20(28)9-12-26(19)36-16-18-7-8-21(29)15-24(18)30/h2-13,15H,14,16H2,1H3,(H,32,33)
PubChem CID71517031
ChEMBLCHEMBL2315057
IUPHARN/A
BindingDB50424382
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
Ki<1000.0 nMPMID23218714ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218