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

NameBDBM50017525
Molecular formulaC17H23FN6
IUPAC name7-fluoro-2,3-dimethyl-4-(4-methylpiperazin-1-yl)-3a,10-dihydro-2H-imidazo[4,5-b][1,5]benzodiazepine
Molecular weight330.411
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.7
Synonyms7-Fluoro-1,2-dimethyl-10-(4-methyl-piperazin-1-yl)-1,2,3,4-tetrahydro-1,3,4,9-tetraaza-benzo[f]azulene
Inchi KeyDXGLKASDSDAWPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23FN6/c1-11-19-16-15(23(11)3)17(24-8-6-22(2)7-9-24)21-14-10-12(18)4-5-13(14)20-16/h4-5,10-11,15H,6-9H2,1-3H3,(H,19,20)
PubChem CID53784060
ChEMBLN/A
IUPHARN/A
BindingDB50017525
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
71268D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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