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BioLiP

PDB CCD ID: B3R
Number of entries in BioLiP: 7
Chemical formula: C6 H5 Br O
InChI: InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey: MNOJRWOWILAHAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc1cc(O)ccc1
CACTVS 3.370Oc1cccc(Br)c1
OpenEye OEToolkits 1.7.0c1cc(cc(c1)Br)O
Name:3-bromophenol
ChEMBL: CHEMBL185651
ZINC: ZINC000000388034
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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