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BioLiP

PDB CCD ID: JG8
Number of entries in BioLiP: 4
Chemical formula: C10 H6 N2 O2
InChI: InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)
InChIKey: PCCWPSFTRGJXEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c3c(o2)C(=O)NC=N3
CACTVS 3.385O=C1NC=Nc2c1oc3ccccc23
Name:BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE
ChEMBL: CHEMBL1491070
ZINC: ZINC000008578948
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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