SEQ2FUN

BioLiP

PDB CCD ID: A1CWO
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3
InChI: InChI=1S/C9H11N3/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKey: OWKRGCMCKQWDHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 3.1.0.0		CCNc1[nH]c2ccccc2n1
ACDLabs 14.52CCNc1nc2ccccc2[NH]1
Name:N-ethyl-1H-1,3-benzimidazol-2-amine
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).