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BioLiP Library

PDB CCD ID: 8AD
Number of entries in BioLiP: 0
Chemical formula: C20 H24 N4 O
InChI: InChI=1S/C20H24N4O/c1-24(2)13-6-5-12-22-20(25)16-10-7-9-15-18(21)14-8-3-4-11-17(14)23-19(15)16/h3-4,7-11H,5-6,12-13H2,1-2H3,(H2,21,23)(H,22,25)
InChIKey: AMFZHKPIXJORQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12
OpenEye OEToolkits 1.5.0CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N
ACDLabs 10.04O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C
Name:9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE
ChEMBL: CHEMBL286237
ZINC: ZINC000005957572
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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