SEQ2FUN

BioLiP

PDB CCD ID: LT1
Number of entries in BioLiP: 1
Chemical formula: C9 H11 Cl
InChI: InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey: XZBXAYCCBFTQHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCl
ACDLabs 10.04
CACTVS 3.341		ClCCCc1ccccc1
Name:(3-chloropropyl)benzene
ChEMBL: CHEMBL1234093
ZINC: ZINC000001747835
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).