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BioLiP

PDB CCD ID: I59
Number of entries in BioLiP: 1
Chemical formula: C11 H11 O4 P
InChI: InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1
InChIKey: AXIBZLYWMBUYRV-NSHDSACASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)C(O)c2cccc1ccccc12
CACTVS 3.341O[C@H](c1cccc2ccccc12)[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O
CACTVS 3.341O[CH](c1cccc2ccccc12)[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2C(O)P(=O)(O)O
Name:HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID;
DPI59
DrugBank: DB03217
ZINC: ZINC000002047566
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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