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BioLiP Library

PDB CCD ID: BYX
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N2 O4
InChI: InChI=1S/C10H12N2O4/c13-9(11-15)5-7-1-2-8(4-3-7)6-10(14)12-16/h1-4,15-16H,5-6H2,(H,11,13)(H,12,14)
InChIKey: BKDWYNGFJRBIJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NO)Cc1ccc(cc1)CC(NO)=O
CACTVS 3.385ONC(=O)Cc1ccc(CC(=O)NO)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(=O)NO)CC(=O)NO
Name:2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)
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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