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BioLiP

PDB CCD ID: 2NZ
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3
InChIKey: LKIVJBZMVMCCCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Cn1cnc2c1cccc2
CACTVS 3.385CC(=O)Cn1cnc2ccccc12
ACDLabs 12.01O=C(C)Cn1c2ccccc2nc1
Name:1-(1H-benzimidazol-1-yl)propan-2-one
ZINC: ZINC000034979991
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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