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

NameCHEMBL88525
Molecular formulaC12H9N3O4
IUPAC name2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetic acid
Molecular weight259.221
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.7
Synonyms2-[[(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin)-7-yl]oxy]acetic acid
CTK0D0867
ACMC-20mh3t
[(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)oxy]acetic acid
(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-acetic acid
[ Show all ]
Inchi KeyANBLGOPBKUCVNY-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H9N3O4/c16-10(17)5-19-7-1-2-8-6(3-7)4-9-11(13-8)15-12(18)14-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)
PubChem CID14280992
ChEMBLCHEMBL88525
IUPHARN/A
BindingDB50000937
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
9414P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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