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BioLiP Library

PDB CCD ID: BGU
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N6 O
InChI: InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)
InChIKey: WFECBOHPSURSGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2cc3nc(N)[nH]c3cc2C(=O)N1
ACDLabs 10.04O=C1c3c(N=C(N1)N)cc2nc(N)nc2c3
Name:2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
2-Amino-lin-Benzogunaine
DrugBank: DB07452
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)(download the PDF file).
  • 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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