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BioLiP

PDB CCD ID: WRM
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O
InChI: InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)
InChIKey: FLYQCADZXXOQSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)Cn1cnc2ccccc12
ACDLabs 12.01n1(CC(=O)NC)cnc2ccccc12
OpenEye OEToolkits 2.0.7CNC(=O)Cn1cnc2c1cccc2
Name:2-(1H-benzimidazol-1-yl)-N-methylacetamide
ZINC: ZINC000007454071
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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