SEQ2FUN

BioLiP

PDB CCD ID: EUN
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N3 O
InChI: InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
InChIKey: CNEUJSQUCXSRDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4
CACTVS 3.385CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34
Name:2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
ChEMBL: CHEMBL4247751
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).