SEQ2FUN

BioLiP

PDB CCD ID: 6LZ
Number of entries in BioLiP: 1
Chemical formula: C8 H8 F N O
InChI: InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKey: HLYXSMQJWZMANE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCC(=O)c1ccc(F)cc1
ACDLabs 12.01c1c(F)ccc(c1)C(=O)CN
OpenEye OEToolkits 2.0.4c1cc(ccc1C(=O)CN)F
Name:2-amino-1-(4-fluorophenyl)ethan-1-one
ZINC: ZINC000053278227
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).