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BioLiP

PDB CCD ID: PPH
Number of entries in BioLiP: 10
Chemical formula: C8 H12 N O3 P
InChI: InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m1/s1
InChIKey: FQCNOURLMNHAQN-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H](N)P(=O)(O)O
CACTVS 3.370N[CH](Cc1ccccc1)[P](O)(O)=O
CACTVS 3.370N[C@@H](Cc1ccccc1)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)Cc1ccccc1
Name:[(1R)-1-amino-2-phenylethyl]phosphonic acid
ChEMBL: CHEMBL40813
ZINC: ZINC000003953934
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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