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BioLiP

PDB CCD ID: CQO
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N2 O2 S
InChI: InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKey: ZFOMCSNUEHMROO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN
Name:3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
ChEMBL: CHEMBL5095897
ZINC: ZINC000090609740
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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