SEQ2FUN

BioLiP

PDB CCD ID: PFK
Number of entries in BioLiP: 1
Chemical formula: C20 H17 N3 O2
InChI: InChI=1S/C20H17N3O2/c1-24-19-10-15-12-21-13-22-18(15)11-20(19)25-9-8-16-7-6-14-4-2-3-5-17(14)23-16/h2-7,10-13H,8-9H2,1H3
InChIKey: REIGRVDNVZOVDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc4
CACTVS 3.370
OpenEye OEToolkits 1.7.0		COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3
Name:6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
ChEMBL: CHEMBL1738857
ZINC: ZINC000066167060
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).