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BioLiP Library

PDB CCD ID: PNC
Number of entries in BioLiP: 2
Chemical formula: C14 H17 N3 O6
InChI: InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIKey: UCFVFUIGNWHAJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]
Name:PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
DrugBank: DB08410
ZINC: ZINC000002043202
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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