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BioLiP

PDB CCD ID: JYF
Number of entries in BioLiP: 2
Chemical formula: C2 H2 Cl2
InChI: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
InChIKey: KFUSEUYYWQURPO-UPHRSURJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=CCl)Cl
OpenEye OEToolkits 2.0.7C(=C\Cl)\Cl
CACTVS 3.385ClC=CCl
CACTVS 3.385Cl\C=C/Cl
Name:(~{Z})-1,2-bis(chloranyl)ethene
ChEMBL: CHEMBL1441128
ZINC: ZINC000008220708
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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