Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Ligand

NameCHEMBL137504
Molecular formulaC23H23NO3
IUPAC name6-(4,6-diphenylpyridin-2-yl)oxyhexanoic acid
Molecular weight361.441
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50001658
FJLSNSKSKQBOKK-UHFFFAOYSA-N
6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
SCHEMBL6757530
6-(4,6-Diphenyl-pyridin-2-yloxy)-hexanoic acid
[ Show all ]
Inchi KeyFJLSNSKSKQBOKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26)
PubChem CID10406292
ChEMBLCHEMBL137504
IUPHARN/A
BindingDB50001658
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
79858Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417