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BioLiP

PDB CCD ID: 92K
Number of entries in BioLiP: 6
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)
InChIKey: MQMWPBBDMIYYMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)C(=O)O)N
CACTVS 3.385Nc1ccccc1C(=O)C(O)=O
Name:Isatinic acid
ZINC: ZINC000002026646
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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