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BioLiP Library

PDB CCD ID: PGG
Number of entries in BioLiP: 2
Chemical formula: C12 H15 N2 O8 P
InChI: InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)
InChIKey: WLNKGRQBMNPVSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NCC(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O
CACTVS 3.341OC(=O)CNC(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCC(=O)NCC(=O)O)O
CACTVS 3.341OC(=O)CNC(=O)CCC[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Name:PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE;
N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE
DrugBank: DB08394
ZINC: ZINC000002043201
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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