SEQ2FUN

BioLiP

PDB CCD ID: NID
Number of entries in BioLiP: 2
Chemical formula: C9 H5 N O3
InChI: InChI=1S/C9H5NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-5H
InChIKey: UUNZJPCKMDLQPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341[O-][N+](=O)c1cccc2C(=O)C=Cc12
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O
ACDLabs 10.04[O-][N+](=O)c1cccc2c1C=CC2=O
Name:4-NITRO-INDEN-1-ONE
DrugBank: DB04479
ZINC: ZINC000003871028
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).