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

NameCHEMBL118182
Molecular formulaC21H16N6O
IUPAC name4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydropyrido[2,3-b][1,4]diazepin-2-one
Molecular weight368.4
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50033265
4-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-pyrido[3,4-b][1,4]diazepin-2-one
Inchi KeyAVZCLRAKXPWOSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N6O/c1-13-24-18-12-22-10-8-19(18)27(13)15-6-4-14(5-7-15)17-11-20(28)25-16-3-2-9-23-21(16)26-17/h2-10,12H,11H2,1H3,(H,25,28)
PubChem CID10384391
ChEMBLCHEMBL118182
IUPHARN/A
BindingDB50033265
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
15778Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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