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BioLiP

PDB CCD ID: 4FX
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N3 O2
InChI: InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)
InChIKey: OZFDPNFXJQTLGG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
CACTVS 3.385COc1ccccc1CNc2ccc(cn2)C(N)=O
OpenEye OEToolkits 1.9.2COc1ccccc1CNc2ccc(cn2)C(=O)N
Name:6-[(2-methoxybenzyl)amino]pyridine-3-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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