SEQ2FUN

BioLiP

PDB CCD ID: 7NQ
Number of entries in BioLiP: 3
Chemical formula: C13 H15 N3 O2
InChI: InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKey: BLXSSFGQMIYBHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1nc(NC(=O)CC)nc2ccccc12
OpenEye OEToolkits 2.0.6CCC(=O)Nc1nc2ccccc2c(n1)OCC
Name:~{N}-(4-ethoxyquinazolin-2-yl)propanamide
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).