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BioLiP

PDB CCD ID: E1K
Number of entries in BioLiP: 6
Chemical formula: C14 H16 Cl N2
InChI: InChI=1S/C14H15ClN2/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)17/h6-8,16H,2-5H2,1H3/p+1
InChIKey: NNLSQYGKFPZYHI-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl
CACTVS 3.385C[n+]1c2CCCCc2c(N)c3ccc(Cl)cc13
Name:6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
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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