SEQ2FUN

BioLiP

PDB CCD ID: TQB
Number of entries in BioLiP: 1
Chemical formula: C16 H14 Cl N3 O
InChI: InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey: JMLJEYLWRAPHBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13
OpenEye OEToolkits 2.0.7CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3
Name:7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
ChEMBL: CHEMBL5090022
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).