SEQ2FUN

BioLiP

PDB CCD ID: AJV
Number of entries in BioLiP: 2
Chemical formula: C8 H5 F N2 O2
InChI: InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,13H,(H,10,11,12)
InChIKey: NTVMSTRPGVBVRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C=21C=CC=C(C1=NC(C=2NO)=O)F
OpenEye OEToolkits 2.0.6C1=CC2=C(C(=O)N=C2C(=C1)F)NO
CACTVS 3.385ONC1=C2C=CC=C(F)C2=NC1=O
Name:7-fluoro-3-(hydroxyamino)-2H-indol-2-one
ZINC: ZINC000018084642
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).