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

NameMLS000735328
Molecular formulaC21H25F3N2O
IUPAC name2-[1-benzyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
Molecular weight378.439
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsCHEMBL1536132
MolPort-008-370-743
HMS2630M16
MCULE-3206455497
SMR000318558
[ Show all ]
Inchi KeyAHNSHLDERBSYEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25F3N2O/c22-21(23,24)19-8-4-7-18(13-19)14-25-10-11-26(20(16-25)9-12-27)15-17-5-2-1-3-6-17/h1-8,13,20,27H,9-12,14-16H2
PubChem CID16187278
ChEMBLCHEMBL1536132
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
5718Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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