SEQ2FUN

BioLiP

PDB CCD ID: OMI
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O
InChI: InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKey: DYPFVQQCYZKNMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CC(=O)c2ccccc12
OpenEye OEToolkits 2.0.4CN1CC(=O)c2c1cccc2
ACDLabs 12.01C1N(c2c(C1=O)cccc2)C
Name:1-methyl-1,2-dihydro-3H-indol-3-one
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).