SEQ2FUN

BioLiP

PDB CCD ID: 5OB
Number of entries in BioLiP: 5
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKey: ILMHAGCURJPNRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)[nH]cn2
ACDLabs 10.04n2c1ccc(OC)cc1nc2
CACTVS 3.341COc1ccc2nc[nH]c2c1
Name:5-METHOXYBENZIMIDAZOLE
ChEMBL: CHEMBL449325
DrugBank: DB04130
ZINC: ZINC000005424660
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).