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BioLiP Library

PDB CCD ID: 6R3
Number of entries in BioLiP: 4
Chemical formula: C5 H7 N O
InChI: InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2
InChIKey: AHTXUWSCLWCTPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C=CC(=O)C(=C)N
CACTVS 3.385NC(=C)C(=O)C=C
Name:2-azanylpenta-1,4-dien-3-one
ZINC: ZINC000584904876
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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