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BioLiP

PDB CCD ID: WXC
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N3 O
InChI: InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
InChIKey: ZXWJMLMXKMSYTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(nc(n1)N)CCCC2=O
CACTVS 3.385Nc1ncc2C(=O)CCCc2n1
Name:2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one
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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