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

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameCHEMBL259467
Molecular formulaC20H27NO2
IUPAC name4-butan-2-yloxy-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
Molecular weight313.441
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.9
Synonyms2-Aryloxy-4-alkoxy-pyridine, 42
BDBM20961
SCHEMBL5844439
4-(butan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
Inchi KeyCZVIQHWCCHQPPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27NO2/c1-8-16(6)22-18-11-15(5)21-20(17(18)7)23-19-13(3)9-12(2)10-14(19)4/h9-11,16H,8H2,1-7H3
PubChem CID21912152
ChEMBLCHEMBL259467
IUPHARN/A
BindingDB20961
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
54709Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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