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

NameCHEMBL299404
Molecular formulaC19H27NO3
IUPAC name7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile
Molecular weight317.429
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
Synonyms4'-(6-Cyano-6-methylheptyloxy)-5'-ethyl-2'-hydroxyacetophenone
7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile
AAJFXRIGBIFCRC-UHFFFAOYSA-N
SCHEMBL9417857
ZINC13650553
Inchi KeyAAJFXRIGBIFCRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27NO3/c1-5-15-11-16(14(2)21)17(22)12-18(15)23-10-8-6-7-9-19(3,4)13-20/h11-12,22H,5-10H2,1-4H3
PubChem CID14820102
ChEMBLCHEMBL299404
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
251Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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