SEQ2FUN

BioLiP

PDB CCD ID: LZY
Number of entries in BioLiP: 1
Chemical formula: C11 H13 F N2 O
InChI: InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3
InChIKey: REEMTHAONJXYIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1Cc2cc(F)ccc2NCCC1=O
OpenEye OEToolkits 2.0.6CN1Cc2cc(ccc2NCCC1=O)F
Name:8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-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).