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

NameCHEMBL357517
Molecular formulaC17H20N4O2
IUPAC name6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
Molecular weight312.373
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.3
Synonyms6,7-Dihydro-6-[[4-(2-pyrimidinyl)piperazino]methyl]benzofuran-4(5H)-one
BDBM50409064
Inchi KeyFLXRQZHNCDCQLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N4O2/c22-15-10-13(11-16-14(15)2-9-23-16)12-20-5-7-21(8-6-20)17-18-3-1-4-19-17/h1-4,9,13H,5-8,10-12H2
PubChem CID10710246
ChEMBLCHEMBL357517
IUPHARN/A
BindingDB50409064
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
816825-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
816845-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
816815-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
81683D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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