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BioLiP

PDB CCD ID: PIC
Number of entries in BioLiP: 1
Chemical formula: C12 H9 F2 O5 P
InChI: InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
InChIKey: NKGNOWNPXBURRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
CACTVS 3.341OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O
Name:6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL99447
DrugBank: DB08397
ZINC: ZINC000002047327
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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