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BioLiP

PDB CCD ID: 79X
Number of entries in BioLiP: 4
Chemical formula: C17 H13 N O4
InChI: InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3
InChIKey: IRPIYZBBHNVOHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O
CACTVS 3.370COc1cc2C(=O)n3c4ccc(O)cc4cc3c2cc1OC
ACDLabs 12.01O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4
Name:2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one
ZINC: ZINC000033963622
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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