SEQ2FUN

BioLiP

PDB CCD ID: RSO
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O
InChI: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
InChIKey: AWMVMTVKBNGEAK-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C1O[CH]1c2ccccc2
ACDLabs 10.04O2C(c1ccccc1)C2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H]2CO2
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CO2
CACTVS 3.341C1O[C@@H]1c2ccccc2
Name:R-STYRENE OXIDE
ChEMBL: CHEMBL1235743
DrugBank: DB04499
ZINC: ZINC000000901251
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).