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BioLiP

PDB CCD ID: 1DW
Number of entries in BioLiP: 2
Chemical formula: C7 H5 Br O2
InChI: InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKey: SCRQAWQJSSKCFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)C=O)Br
ACDLabs 12.01O=Cc1cc(O)ccc1Br
CACTVS 3.370Oc1ccc(Br)c(C=O)c1
Name:2-bromo-5-hydroxybenzaldehyde
ChEMBL: CHEMBL1982591
ZINC: ZINC000001857510
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).
  • 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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