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BioLiP

PDB CCD ID: HRD
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N6 O
InChI: InChI=1S/C11H12N6O/c1-12-10-15-7-3-5-6(4-8(7)16-10)14-11(13-2)17-9(5)18/h3-4H,1-2H3,(H2,12,15,16)(H2,13,14,17,18)
InChIKey: YOTQNVNIJNKFAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CNC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1
OpenEye OEToolkits 1.7.2CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC
ACDLabs 12.01O=C2c3cc1nc(nc1cc3N=C(NC)N2)NC
Name:2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
ZINC: ZINC000095921287
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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