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

NameCHEMBL408028
Molecular formulaC21H29NO3
IUPAC name4-(1-methoxybutan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
Molecular weight343.467
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
Synonyms4-[(1-methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
2-Aryloxy-4-alkoxy-pyridine, 43
BDBM20962
SCHEMBL5844424
Inchi KeyCWNKUKVWCWLOSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29NO3/c1-8-18(12-23-7)24-19-11-16(5)22-21(17(19)6)25-20-14(3)9-13(2)10-15(20)4/h9-11,18H,8,12H2,1-7H3
PubChem CID9819482
ChEMBLCHEMBL408028
IUPHARN/A
BindingDB20962
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
52234Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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