SEQ2FUN

BioLiP

PDB CCD ID: 3HA
Number of entries in BioLiP: 17
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKey: WJXSWCUQABXPFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)N)C(=O)O
CACTVS 3.341Nc1c(O)cccc1C(O)=O
ACDLabs 10.04O=C(O)c1cccc(O)c1N
Name:3-HYDROXYANTHRANILIC ACID;
2-AMINO-3-HYDROXYBENZOIC ACID
ChEMBL: CHEMBL445304
DrugBank: DB03644
ZINC: ZINC000000388292
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).