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BioLiP Library

PDB CCD ID: F1Y
Number of entries in BioLiP: 1
Chemical formula: C17 H18 N4 O2
InChI: InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22)
InChIKey: RDGVRQVQYOOAEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO
ACDLabs 12.01c3(ccc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO
OpenEye OEToolkits 2.0.6CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO
Name:N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
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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