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BioLiP

PDB CCD ID: 0W8
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
InChIKey: CXUCKELNYMZTRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCN1c2ccccc2NC1=O
CACTVS 3.370CCN1C(=O)Nc2ccccc12
ACDLabs 12.01O=C2Nc1ccccc1N2CC
Name:1-ethyl-1,3-dihydro-2H-benzimidazol-2-one
ChEMBL: CHEMBL452887
ZINC: ZINC000002564009
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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