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

NameCHEMBL79089
Molecular formulaC21H22N2
IUPAC name5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
Molecular weight302.421
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP4.5
Synonyms5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
BDBM50035540
SCHEMBL9693329
5-(4-tert-Butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
Inchi KeyAOAPRAZBFITKHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2/c1-21(2,3)17-10-8-15(9-11-17)19-14-16-6-4-5-7-18(16)20-22-12-13-23(19)20/h4-11,14H,12-13H2,1-3H3
PubChem CID10065779
ChEMBLCHEMBL79089
IUPHARN/A
BindingDB50035540
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10078Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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