Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●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 ●TCRfinder

●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 ●DeepMSA2 ●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	CHEMBL1476607
Molecular formula	C17H18N4O3S
IUPAC name	2-(4-ethoxyphenyl)-5-(hydroxymethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
Molecular weight	358.416
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.2
Synonyms	D217-0740 2-(4-ethoxyphenyl)-5-(hydroxymethyl)-N-(2-thienylmethyl)-2H-1,2,3-triazole-4-carboxamide MolPort-007-691-130 ZINC8613671 HMS1849C05 2-(4-ethoxyphenyl)-5-(hydroxymethyl)-N-(thiophen-2-ylmethyl)-2H-1,2,3-triazole-4-carboxamide NCGC00117151-01 MCULE-6962631738 AKOS001910982 STL389232 [ Show all ]
Inchi Key	ACANDFXINHHOGT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N4O3S/c1-2-24-13-7-5-12(6-8-13)21-19-15(11-22)16(20-21)17(23)18-10-14-4-3-9-25-14/h3-9,22H,2,10-11H2,1H3,(H,18,23)
PubChem CID	16014191
ChEMBL	CHEMBL1476607
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
1363	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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