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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL320235
Molecular formula	C26H26FN3O4S
IUPAC name	3-[1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-methyl-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid
Molecular weight	495.569
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.7
Synonyms	UK-102333 3-{1-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-2-methyl-3-pyridin-3-ylmethyl-1H-indol-5-yl}-propionic acid BDBM50060381
Inchi Key	LCXZYHVMTALTGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H26FN3O4S/c1-18-23(16-20-3-2-12-28-17-20)24-15-19(5-11-26(31)32)4-10-25(24)30(18)14-13-29-35(33,34)22-8-6-21(27)7-9-22/h2-4,6-10,12,15,17,29H,5,11,13-14,16H2,1H3,(H,31,32)
PubChem CID	10323516
ChEMBL	CHEMBL320235
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
184383	Thromboxane A2 receptor	P34978	Tbxa2r	Rattus norvegicus (Rat)	341

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