SEQ2FUN

BioLiP

PDB CCD ID: TEK
Number of entries in BioLiP: 3
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
InChIKey: CTAOPYAHPUKQBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1c(NC(C)=O)nc2ccccc12
OpenEye OEToolkits 2.0.7CCn1c2ccccc2nc1NC(=O)C
Name:~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
ChEMBL: CHEMBL1572228
ZINC: ZINC000000845899
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).