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BioLiP

PDB CCD ID: DQU
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N4 O
InChI: InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13)
InChIKey: YCRCNZBZUQLULA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1N)c(nc(n2)N)O
ACDLabs 10.04n2c1c(cc(cc1)N)c(O)nc2N
CACTVS 3.341Nc1ccc2nc(N)nc(O)c2c1
Name:2,6-DIAMINO-3H-QUINAZOLIN-4-ONE;
2,6-DIAMINOQUINAZOLIN-4(3H)-ONE
DrugBank: DB03505
ZINC: ZINC000015894694
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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