SEQ2FUN

BioLiP

PDB CCD ID: WV0
Number of entries in BioLiP: 2
Chemical formula: C8 H6 F N O
InChI: InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey: DDIIYGHHUMKDGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cc2CC(=O)Nc2cc1
CACTVS 3.385Fc1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)CC(=O)N2
Name:5-fluoro-1,3-dihydro-2H-indol-2-one
ZINC: ZINC000002577869
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).