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BioLiP

PDB CCD ID: 2X0
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N O3 P
InChI: InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1
InChIKey: NAPHUBPIUWHFCT-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC(N)P(=O)(O)O
CACTVS 3.385N[C@@H](CCc1ccccc1)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(N)CCc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC[C@H](N)P(=O)(O)O
CACTVS 3.385N[CH](CCc1ccccc1)[P](O)(O)=O
Name:[(1R)-1-amino-3-phenylpropyl]phosphonic acid
ChEMBL: CHEMBL3355099
ZINC: ZINC000013525053
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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