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BioLiP

PDB CCD ID: BRB
Number of entries in BioLiP: 6
Chemical formula: C7 H7 Br O
InChI: InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey: VEDDBHYQWFOITD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1ccc(cc1)CO
OpenEye OEToolkits 1.5.0c1cc(ccc1CO)Br
CACTVS 3.341OCc1ccc(Br)cc1
Name:PARA-BROMOBENZYL ALCOHOL
ChEMBL: CHEMBL184410
DrugBank: DB02822
ZINC: ZINC000000404753
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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