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	N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(2,3-dimethylphenyl)-N~2~-(methylsulfonyl)glycinamide
Molecular formula	C19H23ClN2O3S2
IUPAC name	N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
Molecular weight	426.974
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	MolPort-002-225-459 ZINC2992581 NCGC00099658-01 HMS1799D12 SR-01000498517-1 AC1M4VJ9 N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide CHEMBL1886843 N~1~-{2-[(4-chlorophenyl)thio]ethyl}-N~2~-(2,3-dimethylphenyl)-N~2~-(methylsulfonyl)glycinamide MCULE-9213294647 STK036814 AKOS001668069 EU-0012341 SR-01000498517 [ Show all ]
Inchi Key	AAGVDDQADUWQFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23ClN2O3S2/c1-14-5-4-6-18(15(14)2)22(27(3,24)25)13-19(23)21-11-12-26-17-9-7-16(20)8-10-17/h4-10H,11-13H2,1-3H3,(H,21,23)
PubChem CID	2290112
ChEMBL	CHEMBL1886843
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
193	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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