SEQ2FUN

BioLiP

PDB CCD ID: 8W9
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N3 O
InChI: InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKey: GDVGETHSXBLPHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1c2ccc(cc2N(C1=O)C)CN
CACTVS 3.385CN1C(=O)N(C)c2cc(CN)ccc12
Name:5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one
ZINC: ZINC000000215305
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).