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 DMFold 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

NameCHEMBL137330
Molecular formulaC26H27NO5
IUPAC name6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2,2-dimethylhexanoic acid
Molecular weight433.504
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
Synonyms6-[[4-(3,4-Methylenedioxyphenyl)-6-phenylpyridin-2-yl]oxy]-2,2-dimethylhexanoic acid
BDBM50001655
SCHEMBL6757553
6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-yloxy)-2,2-dimethyl-hexanoic acid
Inchi KeyBHZGPWWJYFBUPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27NO5/c1-26(2,25(28)29)12-6-7-13-30-24-16-20(14-21(27-24)18-8-4-3-5-9-18)19-10-11-22-23(15-19)32-17-31-22/h3-5,8-11,14-16H,6-7,12-13,17H2,1-2H3,(H,28,29)
PubChem CID10477988
ChEMBLCHEMBL137330
IUPHARN/A
BindingDB50001655
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24214Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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