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

NameMLS001094918
Molecular formulaC17H19N3O3S3
IUPAC nameN-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
Molecular weight409.537
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsCHEMBL1389214
MolPort-007-825-989
HMS2929G09
ZINC15942647
AKOS001997507
[ Show all ]
Inchi KeyAECDLOIQBUGFDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O3S3/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
PubChem CID20939863
ChEMBLCHEMBL1389214
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
3334Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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