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BioLiP

PDB CCD ID: N7C
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O
InChI: InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15)
InChIKey: SJPYQEXWGCASRI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cnc2c(NC(=O)C=C)cccc12
OpenEye OEToolkits 2.0.7Cn1cnc2c1cccc2NC(=O)C=C
Name:~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
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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