SEQ2FUN

BioLiP

PDB CCD ID: TO5
Number of entries in BioLiP: 1
Chemical formula: C15 H13 Cl N4 O
InChI: InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3
InChIKey: MOENMGQGTQAHPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13
OpenEye OEToolkits 2.0.7CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3
Name:7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
ChEMBL: CHEMBL5078692
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).