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BioLiP

PDB CCD ID: LNQ
Number of entries in BioLiP: 3
Chemical formula: C14 H24 N2 O5
InChI: InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3
InChIKey: ZUVPNXOKAPTNLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O
OpenEye OEToolkits 1.5.0CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N
ACDLabs 10.04O=C1C(N)=C(NCCCOCCOCCOCCC)C1=O
Name:3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE
DrugBank: DB03077
ZINC: ZINC000100032834
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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