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BioLiP

PDB CCD ID: DRC
Number of entries in BioLiP: 0
Chemical formula: C20 H22 N4 O2
InChI: InChI=1S/C20H22N4O2/c21-18-14-4-1-2-7-17(14)23-19-15(18)5-3-6-16(19)20(25)22-8-9-24-10-12-26-13-11-24/h1-7H,8-13H2,(H2,21,23)(H,22,25)
InChIKey: CUJXCTHCYRNLIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N
ACDLabs 10.04O=C(NCCN1CCOCC1)c4c3nc2ccccc2c(N)c3ccc4
CACTVS 3.341Nc1c2ccccc2nc3c(cccc13)C(=O)NCCN4CCOCC4
Name:9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE
ChEMBL: CHEMBL34432
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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