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BioLiP

PDB CCD ID: HGQ
Number of entries in BioLiP: 4
Chemical formula: C5 H4 Br N O
InChI: InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKey: SSLMGOKTIUIZLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=CNC(=O)C=C1Br
CACTVS 3.385BrC1=CC(=O)NC=C1
Name:4-bromanyl-1~{H}-pyridin-2-one
ZINC: ZINC000005037781
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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