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BioLiP

PDB CCD ID: 8MS
Number of entries in BioLiP: 1
Chemical formula: C19 H36 N4 O4
InChI: InChI=1S/C19H36N4O4/c1-2-3-4-5-11-25-13-15-27-16-14-26-12-10-21-19(24)17-6-8-18(9-7-17)22-23-20/h6-9,19,21-24H,2-5,10-16,20H2,1H3/t19-/m1/s1
InChIKey: LFWZOPMQWFRAFE-LJQANCHMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCOCCOCCOCCNC(c1ccc(cc1)NNN)O
CACTVS 3.385CCCCCCOCCOCCOCCN[CH](O)c1ccc(NNN)cc1
OpenEye OEToolkits 2.0.7CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O
CACTVS 3.385CCCCCCOCCOCCOCCN[C@H](O)c1ccc(NNN)cc1
Name:(R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol
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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