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

NameCHEMBL390062
Molecular formulaC26H35N3O3
IUPAC name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
Molecular weight437.584
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50157785
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methoxyphenyl)-1-piperazinebutanamide
Inchi KeyDEWYNIPJGKJHFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N3O3/c1-31-21-13-12-20-7-5-8-23(22(20)19-21)27-26(30)11-6-14-28-15-17-29(18-16-28)24-9-3-4-10-25(24)32-2/h3-4,9-10,12-13,19,23H,5-8,11,14-18H2,1-2H3,(H,27,30)
PubChem CID11443608
ChEMBLCHEMBL390062
IUPHARN/A
BindingDB50157785
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
582175-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
582185-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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