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BioLiP Library

PDB CCD ID: UGM
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N4 O
InChI: InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18)
InChIKey: DQOFNGNCBXHENB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Cc1cncc(c1)C#N)Nc2cccnc2
ACDLabs 12.01N#Cc1cncc(c1)CC(=O)Nc2cccnc2
OpenEye OEToolkits 2.0.7c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N
Name:2-(5-cyanopyridin-3-yl)-N-(pyridin-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)(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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