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BioLiP

PDB CCD ID: RD2
Number of entries in BioLiP: 4
Chemical formula: C11 H12 O7 P2
InChI: InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18)
InChIKey: KBQHMDQNDJAVLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
ACDLabs 12.01Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2
OpenEye OEToolkits 2.0.6c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O
Name:[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
ChEMBL: CHEMBL4302496
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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