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BioLiP Library

PDB CCD ID: 0CL
Number of entries in BioLiP: 2
Chemical formula: C3 H6 Cl2
InChI: InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCl)CCl
ACDLabs 10.04
CACTVS 3.341		ClCCCCl
Name:1,3-dichloropropane
ChEMBL: CHEMBL157427
ZINC: ZINC000001693328
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)(download the PDF file).
  • 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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