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

Name3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-one
Molecular formulaC21H23NO4
IUPAC name3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
Molecular weight353.418
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsOprea1_000954
TimTec1_002967
A2813/0118949
HMS1542G19
SMR000278630
[ Show all ]
Inchi KeyAEGHNVIUXMRJME-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23NO4/c1-24-18-7-3-2-6-16(18)17(13-21(23)22-10-4-5-11-22)15-8-9-19-20(12-15)26-14-25-19/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3
PubChem CID585708
ChEMBLCHEMBL1419754
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3435Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463301Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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