SEQ2FUN

BioLiP

PDB CCD ID: 3Z7
Number of entries in BioLiP: 3
Chemical formula: C7 H7 Br O2
InChI: InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey: WHSIIJQOEGXWSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1cc(ccc1O)Br
CACTVS 3.385COc1cc(Br)ccc1O
ACDLabs 12.01Brc1cc(OC)c(O)cc1
Name:4-bromo-2-methoxyphenol
ChEMBL: CHEMBL3416131
ZINC: ZINC000000158195
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).