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BioLiP

PDB CCD ID: H7C
Number of entries in BioLiP: 1
Chemical formula: C20 H22 N2 O2 S
InChI: InChI=1S/C20H22N2O2S/c1-23-13-3-5-18-16(11-13)20(25-15-7-9-21-10-8-15)17-12-14(24-2)4-6-19(17)22-18/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKey: ZXEZPSYSBIFZGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4
CACTVS 3.385COc1ccc2nc3ccc(OC)cc3c(SC4CCNCC4)c2c1
Name:2,7-dimethoxy-9-piperidin-4-ylsulfanyl-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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