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BioLiP

PDB CCD ID: KSX
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N4 O
InChI: InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19)
InChIKey: MAYMKKDCBJTHBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)Cc2cc(cnc2)C#N
CACTVS 3.385Cc1ccncc1NC(=O)Cc2cncc(c2)C#N
Name:2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
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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