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BioLiP

PDB CCD ID: PXZ
Number of entries in BioLiP: 0
Chemical formula: C16 H12 N2 O6
InChI: InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
InChIKey: KXRMREPJUITWDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O
ACDLabs 10.04O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
Name:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE;
PHENOXAZINE
ZINC: ZINC000033430665
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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