SEQ2FUN

BioLiP

PDB CCD ID: A1CBM
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N3 O
InChI: InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
InChIKey: QVMFSBBGSVJINR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1N)ncn2CCO
ACDLabs 14.52Nc1cc2ncn(CCO)c2cc1
CACTVS 3.385Nc1ccc2n(CCO)cnc2c1
Name:2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol
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).