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BioLiP

PDB CCD ID: N6X
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-10-13(17)8-18-9-14(10)19-15(20)6-11-3-2-4-12(5-11)7-16/h2-5,8-9H,6,17H2,1H3,(H,19,20)
InChIKey: MDGSUONMRGWOAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cncc1NC(=O)Cc2cccc(c2)C#N)N
CACTVS 3.385Cc1c(N)cncc1NC(=O)Cc2cccc(c2)C#N
ACDLabs 12.01O=C(Nc1cncc(N)c1C)Cc1cccc(C#N)c1
Name:N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)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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