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

NameCHEMBL171115
Molecular formulaC21H27N3O2
IUPAC nameN-[[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
Molecular weight353.466
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50088843
N-{4-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-acetamide
1-[4-(Acetylaminomethyl)benzyl]-4-(4-methoxyphenyl)piperazine
SCHEMBL5988594
Inchi KeyDQXHFJPTTIOPNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
PubChem CID18423164
ChEMBLCHEMBL171115
IUPHARN/A
BindingDB50088843
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
667305-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
66729D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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