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BioLiP Library

PDB CCD ID: CEC
Number of entries in BioLiP: 0
Chemical formula: C3 H6 Cl N O
InChI: InChI=1/C3H6ClNO/c4-1-2-5-3-6/h3H,1-2H2,(H,5,6)/f/h5H
InChIKey: BJONJCOFENHEJJ-JSWHHWTPCH
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCl)NC=O
ACDLabs 10.04
CACTVS 3.341		ClCCNC=O
Name:CHLOROETHYLCARBAMOYL GROUP
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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