SEQ2FUN

BioLiP

PDB CCD ID: A1ATC
Number of entries in BioLiP: 0
Chemical formula: C8 H9 Cl
InChI: InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1
InChIKey: GTLWADFFABIGAE-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](Cl)c1ccccc1
ACDLabs 12.01CC(Cl)c1ccccc1
OpenEye OEToolkits 2.0.7C[C@@H](c1ccccc1)Cl
OpenEye OEToolkits 2.0.7CC(c1ccccc1)Cl
CACTVS 3.385C[C@H](Cl)c1ccccc1
Name:[(1S)-1-chloroethyl]benzene
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).