SEQ2FUN

BioLiP

PDB CCD ID: ES7
Number of entries in BioLiP: 11
Chemical formula: C8 H9 N3
InChI: InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKey: XDFZKQJLNGNJAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cn1c2ccccc2nc1N
CACTVS 3.352Cn1c(N)nc2ccccc12
Name:1-methyl-1H-benzimidazol-2-amine
ChEMBL: CHEMBL1232570
ZINC: ZINC000000163724
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).