SEQ2FUN

BioLiP

PDB CCD ID: S60
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N5 O
InChI: InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)
InChIKey: PLJNUNPYZVVIRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N
ACDLabs 10.04O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C
CACTVS 3.341Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N
Name:6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
2-methyl-lin-Benzoguanine
ChEMBL: CHEMBL1235810
DrugBank: DB08511
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).