SEQ2FUN

BioLiP

PDB CCD ID: OQN
Number of entries in BioLiP: 3
Chemical formula: C18 H18 N6 O
InChI: InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25)
InChIKey: WJCDAOMLVZDAIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
OpenEye OEToolkits 2.0.7CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N
Name:6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
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).