SEQ2FUN

BioLiP

PDB CCD ID: PYJ
Number of entries in BioLiP: 12
Chemical formula: C8 H10
InChI: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccccc1CC
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCc1ccccc1
Name:PHENYLETHANE
ChEMBL: CHEMBL371561
ZINC: ZINC000000968270
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).