SEQ2FUN

BioLiP

PDB CCD ID: PHQ
Number of entries in BioLiP: 0
Chemical formula: C8 H7 Cl O2
InChI: InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: HSDAJNMJOMSNEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC(=O)Cl
ACDLabs 12.01
CACTVS 3.370		ClC(=O)OCc1ccccc1
Name:benzyl chlorocarbonate
ChEMBL: CHEMBL1581748
ZINC: ZINC000000388130
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).