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BioLiP

PDB CCD ID: LT2
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,12H,3H2/t8-/m1/s1
InChIKey: LXXQZMIOKXLXPT-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C2=CC(=O)C(=O)C=C2N1)O
CACTVS 3.341O[CH]1CNC2=CC(=O)C(=O)C=C12
ACDLabs 10.04O=C1C=C2C(=CC1=O)NCC2O
CACTVS 3.341O[C@@H]1CNC2=CC(=O)C(=O)C=C12
OpenEye OEToolkits 1.5.0C1[C@H](C2=CC(=O)C(=O)C=C2N1)O
Name:(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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