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BioLiP

PDB CCD ID: ZV4
Number of entries in BioLiP: 0
Chemical formula: C9 H12 N O5 P
InChI: InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKey: DGIHNAYKZDFPPV-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C[C@@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.385N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(C(=O)O)N)P(=O)(O)O
Name:(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid;
phosphophenylalanine
ZINC: ZINC000013650361
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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