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BioLiP

PDB CCD ID: AFS
Number of entries in BioLiP: 3
Chemical formula: C5 H13 N2 O4 P
InChI: InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1
InChIKey: BHAYDBSYOBONRV-IUYQGCFVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@H](N)C(=O)N[C@@H](C)[P](O)(O)=O
OpenEye OEToolkits 1.7.6C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N
ACDLabs 12.01O=C(NC(C)P(=O)(O)O)C(N)C
OpenEye OEToolkits 1.7.6CC(C(=O)NC(C)P(=O)(O)O)N
CACTVS 3.370C[CH](N)C(=O)N[CH](C)[P](O)(O)=O
Name:N-[(1R)-1-phosphonoethyl]-L-alaninamide;
Alafosfalin
ChEMBL: CHEMBL3989665
ZINC: ZINC000036387834
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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