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BioLiP

PDB CCD ID: DA7
Number of entries in BioLiP: 0
Chemical formula: C18 H19 F N4 O
InChI: InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKey: QEHXKZSBSOBCGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F
CACTVS 3.341CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12
ACDLabs 10.04O=C(NCCN(C)C)c2c1nc3c(c(c1ccc2)N)cccc3F
Name:5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
ChEMBL: CHEMBL350028
ZINC: ZINC000027731008
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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