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BioLiP

PDB CCD ID: FU2
Number of entries in BioLiP: 19
Chemical formula: C5 H4 O2
InChI: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(oc1)C=O
ACDLabs 10.04
CACTVS 3.341		O=Cc1occc1
Name:FURFURAL
ChEMBL: CHEMBL189362
DrugBank: DB16856
ZINC: ZINC000003861345
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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