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BioLiP

PDB CCD ID: 5UX
Number of entries in BioLiP: 1
Chemical formula: C19 H15 Cl2 F N2
InChI: InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)
InChIKey: NOLHCVSBSMPRCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F
CACTVS 3.385Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl
Name:6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
ZINC: ZINC000004924425
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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