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BioLiP Library

PDB CCD ID: SQ0
Number of entries in BioLiP: 10
Chemical formula: C14 H24 N2 O5
InChI: InChI=1S/C14H24N2O5/c17-7-4-2-1-3-5-15-11-12(14(20)13(11)19)16-6-9-21-10-8-18/h15-18H,1-10H2
InChIKey: RJWRZWAPNJTDAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O
OpenEye OEToolkits 2.0.7C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO
CACTVS 3.385OCCCCCCNC1=C(NCCOCCO)C(=O)C1=O
Name:3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
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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