SEQ2FUN

BioLiP

PDB CCD ID: 4Z3
Number of entries in BioLiP: 1
Chemical formula: C8 H7 Br N2 O2
InChI: InChI=1S/C8H7BrN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
InChIKey: KRUQMJREXXFSBT-BJMVGYQFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(c(c1)NC(=O)C=NO)Br
CACTVS 3.385ON=CC(=O)Nc1ccccc1Br
ACDLabs 12.01c1cc(c(NC([C@H]=NO)=O)cc1)Br
CACTVS 3.385O\N=C\C(=O)Nc1ccccc1Br
Name:(2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
ZINC: ZINC000004219191
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).