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BioLiP

PDB CCD ID: O
Number of entries in BioLiP: 212
Chemical formula: O
InChI: InChI=1S/H2O/h1H2
InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
Name:OXYGEN ATOM
ChEMBL: CHEMBL1098659
DrugBank: DB09145
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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