Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Name896286-73-0
Molecular formulaC20H25N3O4S2
IUPAC nameN-[[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
Molecular weight435.557
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsMLS001234488
CHEMBL1473161
MolPort-003-138-453
HMS3008J14
AKOS024661875
[ Show all ]
Inchi KeyAEAPJQBOOXWGNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N3O4S2/c1-14-7-8-15(2)18(11-14)29(26,27)23-9-3-5-16(23)12-21-19(24)20(25)22-13-17-6-4-10-28-17/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,21,24)(H,22,25)
PubChem CID16830002
ChEMBLCHEMBL1473161
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3282Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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