SEQ2FUN

BioLiP

PDB CCD ID: 1FE
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N4 O2
InChI: InChI=1S/C9H10N4O2/c10-4-8(14)11-5-1-2-6-7(3-5)13-9(15)12-6/h1-3H,4,10H2,(H,11,14)(H2,12,13,15)
InChIKey: VRPBYMLDIVHQOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1NC(=O)CN)NC(=O)N2
CACTVS 3.370NCC(=O)Nc1ccc2NC(=O)Nc2c1
ACDLabs 12.01O=C(Nc1ccc2c(c1)NC(=O)N2)CN
Name:N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)glycinamide
ChEMBL: CHEMBL2326884
ZINC: ZINC000012946092
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).