Ligand
Ligand Name:   Isatin
Ligand Type:   non-polymer
Ligand ID:   COVPDB958 PubChem:   7054
Synonym(s):  
  •   91-56-5
  • 1h-indole-2,3-dione
  • indoline-2,3-dione
  • 2,3-indolinedione
  • indole-2,3-dione
  • isatine
  • 2,3-dioxoindoline
  • pseudoisatin
  • isatic acid lactam
  • isotin
  • 2,3-diketoindoline
  • isatinic acid anhydride
  • 2,3-ketoindoline
  • o-aminobenzoylformic anhydride
  • 2,3-dioxo-2,3-dihydroindole
  • nsc 9262
  • 2,3-dihydro-1h-indole-2,3-dione
  • mfcd00005718
  • unii-82x95s7m06
  • tribulin
  • 2,3-dihydroindole-2,3-dione
  • chembl326294
  • chebi:27539
  • 82x95s7m06
  • 1186480-61-4
  • isatin, 98%
  • 1h-benzo[d]azoline-2,3-dione
  • einecs 202-077-8
  • brn 0383659
  • ai3-03111
  • 3-indolinedione
  • indol-2
  • indole-2
  • hydroxy-3-indolone
  • isatin, p.a.
  • 3-hydroxy-2-indolone
  • isatin (compound 1)
  • pubchem13609
  • isatin, technical grade
  • acmc-209rce
  • 2h-indole-2,3-dione
  • ec 202-077-8
  • wln: t56 bmvvj
  • dsstox_cid_18694
  • dsstox_rid_79385
  • 3-hydroxy-2h-indol-2-one
  • dsstox_gsid_38694
  • schembl34016
  • 5-21-10-00221 (beilstein handbook reference)
  • 84788-92-1
  • mls001066355
  • ebd271
  • dtxsid3038694
  • 2,3-dihydro-indole-2,3-dione
  • bdbm11022
  • nsc9262
  • hms2267d18
  • hms3885p18
  • s00335a
  • bcp15996
  • hy-y0265
  • nsc-9262
  • zinc2047514
  • 2,3-dihydro-1h-indol-2,3-dione
  • tox21_202876
  • anw-39708
  • bbl002302
  • s4717
  • sbb009100
  • stk387523
  • akos000119125
  • ccg-266182
  • cs-w020128
  • db02095
  • ls21014
  • mcule-2273580482
  • cas-91-56-5
  • ncgc00246983-01
  • ncgc00260422-01
  • ac-10666
  • ak-29599
  • as-10908
  • smr000471835
  • sy005277
  • db-061345
  • am20050218
  • bb 0295136
  • ft-0627212
  • ft-0728767
  • i0080
  • st50213409
  • az0001-0080
  • c11129
  • i-7800
  • i-7801
  • m-6110
  • a843979
  • q421348
  • z57127903
  • f9995-1662
  • indole-2,3-dione; 2,3-indolinedione; 1h-indole-2,3-dione
  • isatin, for spectrophotometric det. of proline and thiophene, >=99.0%
  • indoline-2,3-dione;2,3-dioxo-2,3-dihydroindole; isatic acid lactam; isotin
show 102 synonym(s)
DrugBank:   DB02095 ChEMBL:   CHEMBL326294
Canonical SMILES:   c1cccc(c12)NC(=O)C2=O
Standard InChI:   InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
Molecular Formula:   C8H5NO2 Mol. Weight:   147.03203 logP:   0.8214
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) 6AF9 ISN Kd : 3200 nM PDBBind SHOW
Parkinson disease protein 7 Q99497 (PARK7_HUMAN) Homo sapiens (Human) 6AFB ISN
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