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BioLiP

PDB CCD ID: Q8O
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20)
InChIKey: NKCRZXILCCSPCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1NC(=O)Cc2ccc3nc[nH]c3c2
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)Cc2ccc3c(c2)[nH]cn3
ACDLabs 12.01Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1
Name:2-(1H-benzimidazol-6-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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