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BioLiP

PDB CCD ID: 0FN
Number of entries in BioLiP: 1
Chemical formula: C10 H5 N O2
InChI: InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
InChIKey: GKEKUQYTCADDSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1C(C#N)C(=O)c2ccccc12
ACDLabs 12.01O=C2c1ccccc1C(=O)C2C#N
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C(C2=O)C#N
Name:1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile
ChEMBL: CHEMBL2032370
ZINC: ZINC000100102142
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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