SEQ2FUN

BioLiP

PDB CCD ID: DK1
Number of entries in BioLiP: 2
Chemical formula: C10 H5 Cl2 N O3
InChI: InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKey: BGKFPRIGXAVYNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl
CACTVS 3.341OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
ACDLabs 10.04Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O
Name:5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID;
DCKA;
5,7-DICHLOROKYNURENIC ACID
ChEMBL: CHEMBL50267
DrugBank: DB01931
ZINC: ZINC000008660423
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).