SEQ2FUN

BioLiP

PDB CCD ID: QCU
Number of entries in BioLiP: 3
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
InChIKey: NOJXCBIUEXCLMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN1c2ccccc2N(C1=O)C
CACTVS 3.385CN1C(=O)N(C)c2ccccc12
Name:1,3-dimethylbenzimidazol-2-one
ChEMBL: CHEMBL463734
ZINC: ZINC000000073681
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).