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BioLiP

PDB CCD ID: 4HR
Number of entries in BioLiP: 2
Chemical formula: C7 H7 Br O
InChI: InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: IOWGHQGLUMEZKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccccc1Br
OpenEye OEToolkits 1.9.2c1ccc(c(c1)CO)Br
ACDLabs 12.01c1(CO)ccccc1Br
Name:(2-bromophenyl)methanol
ZINC: ZINC000001996019
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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