Zhang Lab

National University of Singapore

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 ●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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Thromboxane A2 receptor
Species	Rattus norvegicus (Rat)
Gene	Tbxa2r
Synonym	prostanoid TP receptor TP receptor TXA2-R TXR2
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MWLNSTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAVVASQHAALLDWRATDPGCRLCHFMGAAMVFFGLCPLLLGAAMAAERFVGITRPFSRPAATSRRAWATVGLVWVGAGTLGLLPLLGLGRYSVQYPGSWCFLTLGAERGDVAFGLMFALLGSVSVGLSLLLNTVSVATLCRVYHAREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFILQTLLQTLPVMSPSGQLLRTTERQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFTSQLQAVSLHSPPTQAMLSGP
UniProt	P34978
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3156
IUPHAR	346
DrugBank	N/A

Ligand

Name	CHEMBL347812
Molecular formula	C24H24N2O4S
IUPAC name	(E)-5-[3-[2-(benzenesulfonamido)ethyl]phenyl]-5-pyridin-3-ylpent-4-enoic acid
Molecular weight	436.526
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50391323
Inchi Key	CARSCMJPENPADT-FSJBWODESA-N
Inchi ID	InChI=1S/C24H24N2O4S/c27-24(28)13-5-12-23(21-9-6-15-25-18-21)20-8-4-7-19(17-20)14-16-26-31(29,30)22-10-2-1-3-11-22/h1-4,6-12,15,17-18,26H,5,13-14,16H2,(H,27,28)/b23-12+
PubChem CID	44375026
ChEMBL	CHEMBL347812
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	31.62 nM	Bioorg. Med. Chem. Lett., (1991) 1:12:699	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417