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

NameCHEMBL222864
Molecular formulaC26H35N3O2
IUPAC name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
Molecular weight421.585
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL4463626
BDBM50157768
5-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
Inchi KeyCOFRSTRKYJRGFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30)
PubChem CID11397799
ChEMBLCHEMBL222864
IUPHARN/A
BindingDB50157768
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
466305-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4435165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
466295-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
4435175-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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