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BioLiP

PDB CCD ID: RJL
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N4 O4
InChI: InChI=1S/C15H16N4O4/c1-23-11-7-10(8-16-9-11)14(21)18-5-6-19-15(22)13-12(20)3-2-4-17-13/h2-4,7-9,20H,5-6H2,1H3,(H,18,21)(H,19,22)
InChIKey: YVVRFBXSKUTJJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O
CACTVS 3.385COc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O
ACDLabs 12.01Oc1cccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1
Name:3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide
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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