SEQ2FUN

BioLiP

PDB CCD ID: DMD
Number of entries in BioLiP: 10
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKey: LJUQGASMPRMWIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c1cc(c(cc1nc2)C)C
CACTVS 3.341Cc1cc2[nH]cnc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc[nH]2
Name:5,6-DIMETHYLBENZIMIDAZOLE
ChEMBL: CHEMBL351132
DrugBank: DB02591
ZINC: ZINC000000388593
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).