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BioLiP

PDB CCD ID: M1Q
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
InChIKey: SGSOSBGVUZKQTR-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=O)[C@H]2CCCCC2=N1
CACTVS 3.385O=C1NC(=O)[CH]2CCCCC2=N1
OpenEye OEToolkits 2.0.7C1CCC2=NC(=O)NC(=O)C2C1
Name:5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
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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