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BioLiP

PDB CCD ID: RF7
Number of entries in BioLiP: 2
Chemical formula: C11 H16 N O5 P
InChI: InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKey: RGWBBKVQKPJVGW-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O
CACTVS 3.385CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1
CACTVS 3.385CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1
OpenEye OEToolkits 1.9.2CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O
ACDLabs 12.01O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C
Name:{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
ZINC: ZINC000230570933
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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