SEQ2FUN

BioLiP

PDB CCD ID: 7CL
Number of entries in BioLiP: 2
Chemical formula: C5 H11 Cl
InChI: InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCl
ACDLabs 10.04ClCCCCC
Name:1-chloropentane
ChEMBL: CHEMBL348039
ZINC: ZINC000001586303
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).