SEQ2FUN

BioLiP

PDB CCD ID: 2BR
Number of entries in BioLiP: 2
Chemical formula: C6 H5 Br O
InChI: InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey: VADKRMSMGWJZCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)O)Br
ACDLabs 10.04Brc1ccccc1O
CACTVS 3.341Oc1ccccc1Br
Name:2-BROMOPHENOL;
BROMOPHENOL
ChEMBL: CHEMBL186007
DrugBank: DB04586
ZINC: ZINC000000388200
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).