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BioLiP

PDB CCD ID: 2MQ
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N7 O
InChI: InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20)
InChIKey: GERXMHCMTFTAGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N
CACTVS 3.341CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1
OpenEye OEToolkits 1.5.0CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N
Name:6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
ZINC: ZINC000058632289
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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