SEQ2FUN

BioLiP

PDB CCD ID: HXX
Number of entries in BioLiP: 5
Chemical formula: C7 H4 Cl2 O3
InChI: InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
InChIKey: FKIKPQHMWFZFEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1c(Cl)ccc(Cl)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1Cl)C(=O)O)O)Cl
ACDLabs 10.04Clc1ccc(Cl)c(C(=O)O)c1O
Name:3,6-dichloro-2-hydroxybenzoic acid;
3,6 dichlorosalicylic acid
ChEMBL: CHEMBL1233461
ZINC: ZINC000002026917
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).