SEQ2FUN

BioLiP

PDB CCD ID: 45Y
Number of entries in BioLiP: 2
Chemical formula: C8 H9 F N2 O
InChI: InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKey: PFBNINAURUGQRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(ccc1CC(=O)NN)F
CACTVS 3.385NNC(=O)Cc1ccc(F)cc1
ACDLabs 12.01Fc1ccc(cc1)CC(=O)NN
Name:2-(4-fluorophenyl)acetohydrazide
ZINC: ZINC000003888145
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).