SEQ2FUN

BioLiP

PDB CCD ID: TCV
Number of entries in BioLiP: 1
Chemical formula: C2 H Cl3
InChI: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ClC=C(Cl)Cl
ACDLabs 12.01Cl[C@H]=C(Cl)Cl
OpenEye OEToolkits 1.7.6C(=C(Cl)Cl)Cl
Name:1,1,2-trichloroethene
ChEMBL: CHEMBL279816
DrugBank: DB13323
ZINC: ZINC000008214699
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).