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BioLiP Library

PDB CCD ID: AN9
Number of entries in BioLiP: 0
Chemical formula: C28 H36 N4 O4
InChI: InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
InChIKey: VJLWMFJSEUYNRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc3c2C(=O)c1cccc(c1C(=O)c2ccc3)NC(=O)CCN(CC)CC)CCN(CC)CC
CACTVS 3.341CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(NC(=O)CCN(CC)CC)cccc3C(=O)c12
OpenEye OEToolkits 1.5.0CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC
Name:1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE
ChEMBL: CHEMBL144664
ZINC: ZINC000013556209
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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