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BioLiP

PDB CCD ID: 2WW
Number of entries in BioLiP: 1
Chemical formula: C5 H14 N O3 P
InChI: InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1
InChIKey: HGCAUCAWEADMPM-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C[CH](N)[P](O)(O)=O
CACTVS 3.385CC(C)C[C@@H](N)[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(C)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](N)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(N)CC(C)C
Name:[(1S)-1-amino-3-methylbutyl]phosphonic acid
ChEMBL: CHEMBL288165
ZINC: ZINC000001707645
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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