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

NameSCHEMBL17056279
Molecular formulaC16H16Cl3NO
IUPAC name[3-[(3,4,5-trichloro-N-ethylanilino)methyl]phenyl]methanol
Molecular weight344.66
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM264674
US9718771, 2-9
Inchi KeyADKQZRZUMAQWDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16Cl3NO/c1-2-20(9-11-4-3-5-12(6-11)10-21)13-7-14(17)16(19)15(18)8-13/h3-8,21H,2,9-10H2,1H3
PubChem CID118349190
ChEMBLN/A
IUPHARN/A
BindingDB264674
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
557367Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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