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BioLiP

PDB CCD ID: H5B
Number of entries in BioLiP: 4
Chemical formula: C11 H7 Br O3
InChI: InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKey: ORABWYPHDRBFAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(cc(c2O)C(=O)O)Br
CACTVS 3.385OC(=O)c1cc(Br)c2ccccc2c1O
Name:4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
ZINC: ZINC000000235999
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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