SEQ2FUN

BioLiP

PDB CCD ID: 8FH
Number of entries in BioLiP: 3
Chemical formula: C2 H3 Cl3 O
InChI: InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC(Cl)(Cl)Cl
OpenEye OEToolkits 2.0.6C(C(Cl)(Cl)Cl)O
Name:2,2,2-tris-chloroethanol
ChEMBL: CHEMBL1171
ZINC: ZINC000003860797
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).