SEQ2FUN

BioLiP

PDB CCD ID: N91
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O
InChI: InChI=1S/C10H11N3O/c1-7(14)12-8-3-4-10-9(5-8)11-6-13(10)2/h3-6H,1-2H3,(H,12,14)
InChIKey: KAWIUNXJBSAKNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc2c(c1)ncn2C
CACTVS 3.385Cn1cnc2cc(NC(C)=O)ccc12
Name:N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE
ChEMBL: CHEMBL1300388
ZINC: ZINC000000577551
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).