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BioLiP

PDB CCD ID: 14J
Number of entries in BioLiP: 1
Chemical formula: C5 H3 Br O3
InChI: InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey: YVTQHZDUDUCGRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(oc1C(=O)O)Br
ACDLabs 12.01O=C(O)c1oc(Br)cc1
CACTVS 3.370OC(=O)c1oc(Br)cc1
Name:5-bromofuran-2-carboxylic acid
ZINC: ZINC000000066017
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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