SEQ2FUN

BioLiP

PDB CCD ID: CHM
Number of entries in BioLiP: 12
Chemical formula: C3 H4 Cl2 O
InChI: InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)CCl)Cl
CACTVS 2.87ClCC(=O)CCl
Name:1,3-DICHLORO-PROPAN-2-ONE;
Bis(chloromethyl) ketone
ChEMBL: CHEMBL1231783
ZINC: ZINC000001648213
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).