SEQ2FUN

BioLiP

PDB CCD ID: DB1
Number of entries in BioLiP: 5
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11)
InChIKey: QCIDBNKTKNBPKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)c1cccc(O)c1O
ACDLabs 10.04O=C(c1cccc(O)c1O)N
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)N
Name:2,3-DIHYDROXYBENZAMIDE;
TRENCAM-3,2-HOPO
DrugBank: DB04476
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).