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 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

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

You can:

Ligand

NameAC1P53WK
Molecular formulaC19H21NO4S
IUPAC name6,7-dimethoxy-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
Molecular weight359.44
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsSMR000589240
HMS2852J14
MLS001175770
6,7-dimethoxy-2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CHEMBL1434208
Inchi KeyADEWUCBUALIYBZ-PKNBQFBNSA-N
Inchi IDInChI=1S/C19H21NO4S/c1-23-18-12-16-8-10-20(14-17(16)13-19(18)24-2)25(21,22)11-9-15-6-4-3-5-7-15/h3-7,9,11-13H,8,10,14H2,1-2H3/b11-9+
PubChem CID8319306
ChEMBLCHEMBL1434208
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
2196Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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