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BioLiP

PDB CCD ID: DBW
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O4
InChI: InChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2
InChIKey: LCTIMSLMTIKISI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O
CACTVS 3.352Oc1ccc2C=C3N(Cc2c1O)C=CC4=C3CC5=C(C4)OCO5
Name:4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
ZINC: ZINC000058632442
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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