SEQ2FUN

BioLiP

PDB CCD ID: F9G
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Br O2
InChI: InChI=1S/C7H7BrO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKey: OLSJHVZRUFFIPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1O)Br
CACTVS 3.385COc1ccc(Br)cc1O
ACDLabs 12.01c1(c(ccc(c1)Br)OC)O
Name:5-bromo-2-methoxyphenol
ZINC: ZINC000002568133
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).