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BioLiP

PDB CCD ID: Y55
Number of entries in BioLiP: 2
Chemical formula: C13 H9 N O4
InChI: InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2
InChIKey: FMBJYDTZYGCAIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3
OpenEye OEToolkits 2.0.6c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O
CACTVS 3.385ON1C(=O)Cc2ccc(cc2C1=O)c3occc3
Name:7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
ChEMBL: CHEMBL1928097
ZINC: ZINC000073198131
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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