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

NameCHEMBL11311
Molecular formulaC21H27NO2
IUPAC name1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
Molecular weight325.452
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
Synonyms1-[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-pyrrolidine; compound with oxalic acid
1-[3-(Phenethyloxy)-4-methoxyphenethyl]pyrrolidine
BDBM50074855
CHEMBL1178012
Inchi KeyAFGQADKELTYBPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO2/c1-23-20-10-9-19(11-15-22-13-5-6-14-22)17-21(20)24-16-12-18-7-3-2-4-8-18/h2-4,7-10,17H,5-6,11-16H2,1H3
PubChem CID10496297
ChEMBLN/A
IUPHARN/A
BindingDB50074855
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
4143D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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