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BioLiP

PDB CCD ID: EZB
Number of entries in BioLiP: 1
Chemical formula: C18 H13 N3 O
InChI: InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)
InChIKey: UUGUFBFLQOTDIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(ccc2N=CNC(=O)c12)c3cccc4ncccc34
OpenEye OEToolkits 2.0.6Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4
Name:5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
ChEMBL: CHEMBL4250114
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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