SEQ2FUN

BioLiP

PDB CCD ID: 069
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
InChIKey: IRGXGFPSYHAJER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1cc(cc(c1)O)C(=O)NO
ACDLabs 10.04O=C(c1cc(O)ccc1)NO
CACTVS 3.352ONC(=O)c1cccc(O)c1
Name:N,3-DIHYDROXYBENZAMIDE
ChEMBL: CHEMBL232053
ZINC: ZINC000013511092
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).