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

NameCHEMBL283152
Molecular formulaC29H20FN5O2
IUPAC name2-[3-[1-ethyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight489.51
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
Synonyms1-Ethyl-6-(2-fluorophenyl)-8-[3-[(2,3-dihydro-1,3-dioxo-1H-isoindol)-2-yl]-1-propynyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
BDBM50011620
SCHEMBL9382672
2-{3-[1-Ethyl-6-(2-fluoro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione
Inchi KeyCTRLDMFOIYQMMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H20FN5O2/c1-2-25-32-33-26-17-31-27(21-11-5-6-12-23(21)30)22-16-18(13-14-24(22)35(25)26)8-7-15-34-28(36)19-9-3-4-10-20(19)29(34)37/h3-6,9-14,16H,2,15,17H2,1H3
PubChem CID14851895
ChEMBLCHEMBL283152
IUPHARN/A
BindingDB50011620
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
50374Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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