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BioLiP

PDB CCD ID: P9T
Number of entries in BioLiP: 3
Chemical formula: C10 H7 F2 O5 P
InChI: InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16)
InChIKey: RMYHVOFFXNNDCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2
CACTVS 3.385O[P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12
OpenEye OEToolkits 2.0.6c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F
Name:[(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
ChEMBL: CHEMBL4533674
ZINC: ZINC000621478413
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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