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BioLiP

PDB CCD ID: MNY
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N2 O4
InChI: InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
InChIKey: QVEMRPAUHFWHRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N
CACTVS 3.341Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
ACDLabs 10.04O=C2c1c(c(N)ccc1N)C(=O)c3c2c(O)ccc3O
Name:5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE
ChEMBL: CHEMBL572879
DrugBank: DB03924
ZINC: ZINC000004734942
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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