SEQ2FUN

BioLiP

PDB CCD ID: TNZ
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N2 O
InChI: InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey: VEHAPNUVJXSXGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1nc2ccc(cc2c(n1)c3ccccc3)Cl
CACTVS 3.385COc1nc2ccc(Cl)cc2c(n1)c3ccccc3
Name:6-chloranyl-2-methoxy-4-phenyl-quinazoline
ChEMBL: CHEMBL5078655
ZINC: ZINC000000181602
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).