SEQ2FUN

BioLiP

PDB CCD ID: F4Z
Number of entries in BioLiP: 4
Chemical formula: C5 H2 Cl3 N O
InChI: InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChIKey: WCYYAQFQZQEUEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(c(nc(c1Cl)Cl)O)Cl
CACTVS 3.385Oc1nc(Cl)c(Cl)cc1Cl
Name: 3,5,6-trichloro-2-pyridinol
ChEMBL: CHEMBL3186214
ZINC: ZINC000002033904
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).