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

NameCHEMBL299007
Molecular formulaC10H14ClN3
IUPAC name1-(3-chloro-4-methylpyridin-2-yl)piperazine
Molecular weight211.693
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50027025
ZINC29463497
AKOS026808588
1-(3-Chloro-4-methyl-pyridin-2-yl)-piperazine
Inchi KeyGYLDNNSIAUVXSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14ClN3/c1-8-2-3-13-10(9(8)11)14-6-4-12-5-7-14/h2-3,12H,4-7H2,1H3
PubChem CID44292470
ChEMBLCHEMBL299007
IUPHARN/A
BindingDB50027025
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
108400Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
108399Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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