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

NameCHEMBL106807
Molecular formulaC24H31ClN4O2
IUPAC name2-[4-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight442.988
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsCHEMBL1179968
BDBM50290923
2-[4-Chloro-3-(4-methyl-piperazin-1-yl)-phenoxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone; compound with (E)-but-2-enedioic acid
Inchi KeyBBJVEASJHDPHCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3
PubChem CID44337731
ChEMBLN/A
IUPHARN/A
BindingDB50290923
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
195535-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
195525-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
195515-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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