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BioLiP

PDB CCD ID: WZ9
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N3 O
InChI: InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)
InChIKey: RSMYBWVNPVYYCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2c3cccc(c3NC2=O)N
Name:7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
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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