SEQ2FUN

BioLiP

PDB CCD ID: E7S
Number of entries in BioLiP: 4
Chemical formula: C10 H12 N2 O
InChI: InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKey: NLTYZPBQHXXZGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c21c(cc(C)c(c1)C)nc(CO)n2
OpenEye OEToolkits 2.0.6Cc1cc2c(cc1C)nc([nH]2)CO
CACTVS 3.385Cc1cc2[nH]c(CO)nc2cc1C
Name:(5,6-dimethyl-1H-benzimidazol-2-yl)methanol
ChEMBL: CHEMBL1877161
ZINC: ZINC000000393885
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).