SEQ2FUN

BioLiP

PDB CCD ID: 9CL
Number of entries in BioLiP: 2
Chemical formula: C7 H7 Cl
InChI: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		ClCc1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCl
Name:(chloromethyl)benzene
ChEMBL: CHEMBL498878
ZINC: ZINC000001586371
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).