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BioLiP Library

PDB CCD ID: AZQ
Number of entries in BioLiP: 7
Chemical formula: C16 H20 N4 O2
InChI: InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1
InChIKey: MPHPHYZQRGLTBO-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C
CACTVS 3.385CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C
CACTVS 3.385CCC[C@H]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C
Name:AZAPROPAZONE
ZINC: ZINC000002019585
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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