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BioLiP Library

PDB CCD ID: 5VQ
Number of entries in BioLiP: 0
Chemical formula: C3 H6 O
InChI: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C=CCO
CACTVS 3.385OCC=C
Name:2-Propen-1-ol;
allyl alcohol
ChEMBL: CHEMBL234926
ZINC: ZINC000000901213
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)(download the PDF file).
  • 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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