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

NameCHEMBL260636
Molecular formulaC24H17FN4O
IUPAC name8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Molecular weight396.425
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
Synonyms8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
BDBM50376467
DWHFXDLHZUPSDA-UHFFFAOYSA-N
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo [b][1,4]diazepin-2-one
SCHEMBL5869045
Inchi KeyDWHFXDLHZUPSDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H17FN4O/c25-20-7-2-1-6-19(20)16-8-9-21-23(13-16)28-24(30)14-22(27-21)17-4-3-5-18(12-17)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30)
PubChem CID22224657
ChEMBLCHEMBL260636
IUPHARN/A
BindingDB50376467
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70572Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
559504Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
70573Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879

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