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BioLiP Library

PDB CCD ID: F9F
Number of entries in BioLiP: 42
Chemical formula: C9 H11 F3 N O7 P S
InChI: InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)
InChIKey: JDDKDMFCTOZVCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1
ACDLabs 10.04FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O
Name:2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE;
N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
DrugBank: DB07748
ZINC: ZINC000016051904
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)(download the PDF file).
  • 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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