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

NameCHEMBL1552585
Molecular formulaC23H25NO3S2
IUPAC nameN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide
Molecular weight427.577
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsMolPort-003-136-921
HMS1903K01
AKOS002056270
AKOS021601197
MCULE-5116745233
[ Show all ]
Inchi KeyADZODYJRGXMVJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25NO3S2/c1-23(2,3)18-13-11-17(12-14-18)22(25)24-16-21(20-10-7-15-28-20)29(26,27)19-8-5-4-6-9-19/h4-15,21H,16H2,1-3H3,(H,24,25)
PubChem CID16032067
ChEMBLCHEMBL1552585
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
3261Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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