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

You can:

Ligand

Name1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazine
Molecular formulaC20H24N2O2
IUPAC name1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazine
Molecular weight324.424
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsSMR000495929
Cambridge id 5257441
HMS2814N17
AB00076977-01
MolPort-002-140-441
[ Show all ]
Inchi KeyAFNIXNYTGQFPRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N2O2/c1-15-4-3-5-18(16(15)2)22-10-8-21(9-11-22)13-17-6-7-19-20(12-17)24-14-23-19/h3-7,12H,8-11,13-14H2,1-2H3
PubChem CID791209
ChEMBLCHEMBL1508718
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
4294Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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