Ligand
Ligand Name:   7-Methylisatin
Ligand Type:   non-polymer
Ligand ID:   COVPDB339 PubChem:   14313
Synonym(s):  
  •   1127-59-9
  • 7-methylindoline-2,3-dione
  • 7-methyl-1h-indole-2,3-dione
  • 7-methylisatine
  • 1h-indole-2,3-dione, 7-methyl-
  • 7-methyl-indole-2,3-dione
  • indole-2,3-dione, 7-methyl-
  • 7-methyl-2,3-dihydro-1h-indole-2,3-dione
  • nsc3161
  • unii-c35a9kwt4g
  • c35a9kwt4g
  • 7-methyl-2,3-indolinedione
  • mls002637670
  • mfcd00022797
  • 7-methyl-1~{h}-indole-2,3-dione
  • 7-methylsatin
  • 7-methyl-1h-benzo[d]azolidine-2,3-dione
  • nsc 3161
  • einecs 214-431-9
  • brn 0128145
  • ai3-61860
  • 7-methyl isatin
  • indole-2, 7-methyl-
  • 1h-indole-2,3-dione, 7-methyl- (9ci)
  • acmc-2099gc
  • isatin-based compound, 41
  • 1h-indole-2, 7-methyl-
  • 5-21-11-00183 (beilstein handbook reference)
  • chembl224884
  • schembl3088689
  • 7-methyl-1h-indol-2,3-dione
  • dtxsid7074456
  • bdbm22821
  • hms3091j05
  • albb-002977
  • amy31738
  • bcp21755
  • nsc-3161
  • str06774
  • zinc2039874
  • 7-methyl-1h-indole-2,3-dione #
  • anw-16522
  • bbl005243
  • sbb002431
  • stk255769
  • akos000115229
  • cs-w007719
  • ls20909
  • mcule-8450871874
  • sb30765
  • vz35726
  • ak-75781
  • smr001547194
  • sy081570
  • ab0063945
  • db-041117
  • st4083886
  • bb 0258448
  • ft-0633377
  • z7393
  • en300-01162
  • k-0968
  • a802646
  • ae-017/30049024
  • sr-01000550631
  • sr-01000550631-1
  • z56891319
  • f0452-5409
  • 7-methyl-1h-indole-2,3-dione;7-methylindoline-2,3-dione
show 68 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL224884
Canonical SMILES:   c1ccc(C)c(c12)NC(=O)C2=O
Standard InChI:   InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
Molecular Formula:   C9H7NO2 Mol. Weight:   161.04768 logP:   1.12982
HBD:   1 HBA:   2
#Rotatable Bonds:   0 TPSA:   46.17

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Parkinson disease protein 7 Q99497 (PARK7_HUMAN) Homo sapiens (Human) 6AFD 72S Kd : 3700 nM PDBBind SHOW