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BioLiP

PDB CCD ID: H5R
Number of entries in BioLiP: 1
Chemical formula: C21 H24 N2 O2 S
InChI: InChI=1S/C21H24N2O2S/c1-24-15-3-5-19-17(11-15)21(26-13-14-7-9-22-10-8-14)18-12-16(25-2)4-6-20(18)23-19/h3-6,11-12,14,22H,7-10,13H2,1-2H3
InChIKey: KSMWPFBVZBOUFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4
Name:2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
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).
  • 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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