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

NameCHEMBL225441
Molecular formulaC27H37N3O3
IUPAC name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
Molecular weight451.611
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50157782
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methoxyphenyl)-1-piperazinepentanamide
Inchi KeyBUMLEIQSRWKWTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H37N3O3/c1-32-24-13-4-3-12-23(24)30-19-17-29(18-20-30)16-6-5-15-26(31)28-22-11-7-9-21-10-8-14-25(33-2)27(21)22/h3-4,8,10,12-14,22H,5-7,9,11,15-20H2,1-2H3,(H,28,31)
PubChem CID11432453
ChEMBLCHEMBL225441
IUPHARN/A
BindingDB50157782
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
331785-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
331775-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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