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BioLiP

PDB CCD ID: 4GM
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N3 O2
InChI: InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
InChIKey: NNNVBOGULIXEBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(NCc2ccccc2O)nc1
ACDLabs 12.01c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O
OpenEye OEToolkits 1.9.2c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O
Name:6-[(2-hydroxybenzyl)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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