SEQ2FUN

BioLiP

PDB CCD ID: HOH
Number of entries in BioLiP: 0
Chemical formula: H2 O
InChI: InChI=1S/H2O/h1H2
InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O
Name:WATER
ChEMBL: CHEMBL1098659
DrugBank: DB09145
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).