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BioLiP Library

PDB CCD ID: A4A
Number of entries in BioLiP: 0
Chemical formula: C16 H9 N O3
InChI: InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
InChIKey: KPVDACWQNCRKTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24
OpenEye OEToolkits 1.7.2c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5
ACDLabs 12.01O=C3Nc4c2c(c1OCOc1cc23)c5c(c4)cccc5
Name:[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one;
Aristolactam II
ChEMBL: CHEMBL603073
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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