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BioLiP

PDB CCD ID: FOQ
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N2 O5 P
InChI: InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKey: AMWIPWYKSYZXGB-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O
OpenEye OEToolkits 1.7.6CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O
CACTVS 3.370CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O
CACTVS 3.370CC(=O)N(O)CC[C@@H](c1ccncc1)[P](O)(O)=O
ACDLabs 12.01O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C
Name:[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
ZINC: ZINC000095584105
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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