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 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

NameCHEMBL1417160
Molecular formulaC23H27N5O2
IUPAC name2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
Molecular weight405.502
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
Synonyms2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
MLS000699291
AC1LNZT8
SMR000229279
2-cyclobutyl-6,7-dimethoxy-4-[4-(2-pyridinyl)-1-piperazinyl]quinazoline
[ Show all ]
Inchi KeyGPLGXZOMVXBMDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O2/c1-29-19-14-17-18(15-20(19)30-2)25-22(16-6-5-7-16)26-23(17)28-12-10-27(11-13-28)21-8-3-4-9-24-21/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3
PubChem CID1230851
ChEMBLCHEMBL1417160
IUPHARN/A
BindingDB50440758
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
102077G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
102079Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
102080Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
102078Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417