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BioLiP

PDB CCD ID: KTP
Number of entries in BioLiP: 2
Chemical formula: C22 H17 O4 P
InChI: InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1
InChIKey: OFHMUASCSJJNNA-JOCHJYFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)C(=O)C(c3cccc4c3cccc4)P(=O)(O)O
ACDLabs 10.04O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O
CACTVS 3.341O[P](O)(=O)[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
CACTVS 3.341O[P](O)(=O)[C@@H](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
Name:(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID;
BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID
DrugBank: DB02360
ZINC: ZINC000002047839
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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