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

NameCHEMBL115382
Molecular formulaC21H26ClN5O
IUPAC name2-[3-[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methylpropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight399.923
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
Synonyms2-[2-[4-(3-Chlorophenyl)-3-methylpiperazinomethyl]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one
Inchi KeyLOEADZDEGAOQMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClN5O/c1-16(14-27-21(28)26-9-4-3-8-20(26)23-27)13-24-10-11-25(17(2)15-24)19-7-5-6-18(22)12-19/h3-9,12,16-17H,10-11,13-15H2,1-2H3
PubChem CID10787137
ChEMBLCHEMBL115382
IUPHARN/A
BindingDBN/A
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
1922575-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
449254D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
192256Histamine H1 receptorP30546HRH1Bos taurus (Bovine)491

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