SEQ2FUN

BioLiP

PDB CCD ID: 4AA
Number of entries in BioLiP: 5
Chemical formula: C7 H6 Cl N O3
InChI: InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)
InChIKey: VWEPFJPQZFIOAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1c(O)c(Cl)ccc1C(O)=O
ACDLabs 10.04Clc1ccc(c(N)c1O)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1C(=O)O)N)O)Cl
Name:4-CHLORO-3-HYDROXYANTHRANILIC ACID;
2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID
ChEMBL: CHEMBL1230244
DrugBank: DB04598
ZINC: ZINC000006091734
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).