SEQ2FUN

BioLiP

PDB CCD ID: A1CS0
Number of entries in BioLiP: 1
Chemical formula: C8 H9 Br O2
InChI: InChI=1S/C8H9BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5H2
InChIKey: KYBPOEADFKOHSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(c(cc1CO)Br)CO
ACDLabs 14.52OCc1ccc(cc1Br)CO
CACTVS 3.385OCc1ccc(CO)c(Br)c1
Name:(2-bromo-1,4-phenylene)dimethanol
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).