Covpdb









Ligand
Ligand Name:   7-(trifluoromethyl)isatin
Ligand Type:   non-polymer
Ligand ID:   COVPDB340 PubChem:   604575
Synonym(s):  
  •   391-12-8
  • 7-trifluoromethylisatin
  • 7-(trifluoromethyl)indoline-2,3-dione
  • 7-(trifluoromethyl)-1h-indole-2,3-dione
  • 7-trifluoromethyl-1h-indole-2,3-dione
  • 7-(trifluoromethyl)-2,3-dihydro-1h-indole-2,3-dione
  • mfcd01248408
  • 1h-indole-2,3-dione, 7-(trifluoromethyl)-
  • 7-(trifluoromethyl)-1~{h}-indole-2,3-dione
  • 7-trifluoroisatin
  • pubchem9557
  • 7-trifluoromethyl-isatin
  • acmc-1clgd
  • isatin-based compound, 45
  • schembl594546
  • chembl376435
  • bdbm22825
  • dtxsid70345455
  • act06684
  • albb-014432
  • bcp05930
  • zinc2487385
  • 7-trifluoromethylindoline-2,3-dione
  • anw-29018
  • sbb095071
  • 7-(trifluoromethyl)indole-2,3-dione
  • 7-trifluoromethyl indoline-2,3-dione
  • 7-(trifluoromethyl)isatin, aldrichcpr
  • akos000117359
  • 7-(trifluoromethyl)-2,3-indolinedione
  • ab08418
  • ac-3078
  • ccg-249437
  • cm14311
  • cs-w002752
  • fs-1804
  • mcule-7085583203
  • vz30865
  • ak-51557
  • q974
  • sy003780
  • ab0006364
  • db-008497
  • am20061059
  • ft-0632075
  • 7-(trifluoromethyl)-1h-indole-2,3-dione #
  • en300-10741
  • t-6392
  • 391t128
  • j-519335
  • 7-(trifluoromethyl)-1h-benzo[d]azolidine-2,3-dione
  • z56855139
show 51 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL376435
Canonical SMILES:   c1ccc(C(F)(F)F)c(c12)NC(=O)C2=O
Standard InChI:   InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
Molecular Formula:   C9H4F3NO2 Mol. Weight:   215.01941 logP:   1.8402
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) 6AFE 72T Kd : 4400 nM PDBBind SHOW