SEQ2FUN

BioLiP

PDB CCD ID: 6B1
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl2 N2 O
InChI: InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)
InChIKey: GOUGSJWBRLTBDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(cc1nc(nc1cc2Cl)CO)Cl
OpenEye OEToolkits 2.0.4c1c2c(cc(c1Cl)Cl)nc([nH]2)CO
CACTVS 3.385OCc1[nH]c2cc(Cl)c(Cl)cc2n1
Name:(5,6-dichloro-1H-benzimidazol-2-yl)methanol
ZINC: ZINC000011735014
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).