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BioLiP

PDB CCD ID: 344
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N5 O
InChI: InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)
InChIKey: VQSMWFVKBKMHTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N
ACDLabs 10.04O=C1c3c(N=C(N)N1)cc2c(ncn2)c3
CACTVS 3.341NC1=Nc2cc3[nH]cnc3cc2C(=O)N1
Name:6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
DrugBank: DB07012
ZINC: ZINC000016051807
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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