SEQ2FUN

BioLiP

PDB CCD ID: VI5
Number of entries in BioLiP: 1
Chemical formula: C9 H11 F N2 O
InChI: InChI=1S/C9H11FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3,(H,12,13)
InChIKey: RQKDJHXAPOJIDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCC(=O)Nc1cccc(F)c1
OpenEye OEToolkits 2.0.7CNCC(=O)Nc1cccc(c1)F
ACDLabs 12.01O=C(Nc1cccc(F)c1)CNC
Name:N-(3-fluorophenyl)-N~2~-methylglycinamide
ZINC: ZINC000003298516
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).