SEQ2FUN

BioLiP

PDB CCD ID: NE8
Number of entries in BioLiP: 5
Chemical formula: C17 H15 N5 O
InChI: InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKey: PBZAIUVFRISTSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
CACTVS 3.341NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=O)N1
ACDLabs 10.04O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc4)N
Name:6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
DrugBank: DB08267
ZINC: ZINC000033836604
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).