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

NameCHEMBL118188
Molecular formulaC23H24FN3O3
IUPAC name5-[(E)-[3-(4-fluorophenyl)-2-imidazol-1-yl-1-phenylpropylidene]amino]oxypentanoic acid
Molecular weight409.461
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
Synonyms5-[3-(4-Fluoro-phenyl)-2-imidazol-1-yl-1-phenyl-prop-(E)-ylideneaminooxy]-pentanoic acid
5-[[[(Z)-1-Phenyl-2-(1H-imidazol-1-yl)-3-(4-fluorophenyl)propylidene]amino]oxy]pentanoic acid
BDBM50037766
L008111
SCHEMBL9423399
Inchi KeyAFEOYNXQWALUNY-WNAAXNPUSA-N
Inchi IDInChI=1S/C23H24FN3O3/c24-20-11-9-18(10-12-20)16-21(27-14-13-25-17-27)23(19-6-2-1-3-7-19)26-30-15-5-4-8-22(28)29/h1-3,6-7,9-14,17,21H,4-5,8,15-16H2,(H,28,29)/b26-23+
PubChem CID10092922
ChEMBLCHEMBL118188
IUPHARN/A
BindingDB50037766
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
4106Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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