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

NameCHEMBL330060
Molecular formulaC23H32N4O2
IUPAC name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide
Molecular weight396.535
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
Synonyms2-{3-[4-(2-methoxyphenyl)-piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
BDBM50408248
GEDPLZQOWAXARY-UHFFFAOYSA-N
SCHEMBL9027618
Inchi KeyGEDPLZQOWAXARY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3
PubChem CID10572854
ChEMBLCHEMBL330060
IUPHARN/A
BindingDB50408248
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94252Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
94253Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
94254Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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