SEQ2FUN

BioLiP

PDB CCD ID: JKP
Number of entries in BioLiP: 1
Chemical formula: C6 H3 Cl2 N O2
InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChIKey: SQSYNRCXIZHKAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(Cl)nc(Cl)c1
ACDLabs 12.01OC(c1cc(nc(c1)Cl)Cl)=O
OpenEye OEToolkits 2.0.6c1c(cc(nc1Cl)Cl)C(=O)O
Name:2,6-dichloropyridine-4-carboxylic acid
ChEMBL: CHEMBL2447891
ZINC: ZINC000000163244
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).