SEQ2FUN

BioLiP

PDB CCD ID: SBK
Number of entries in BioLiP: 2
Chemical formula: C7 H4 Cl3 N O3
InChI: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
InChIKey: REEQLXCGVXDJSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl
CACTVS 3.385OC(=O)COc1nc(Cl)c(Cl)cc1Cl
Name:Triclopyr
ChEMBL: CHEMBL1865925
ZINC: ZINC000000900723
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).