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BioLiP

PDB CCD ID: FOS
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N O5 P
InChI: InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKey: WUNKRZNFNIYEPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)CNC(=O)OCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)NCP(=O)(O)O
ACDLabs 10.04O=P(O)(O)CNC(=O)OCc1ccccc1
Name:[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
ChEMBL: CHEMBL1232804
DrugBank: DB02642
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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