SEQ2FUN

BioLiP

PDB CCD ID: 0N5
Number of entries in BioLiP: 1
Chemical formula: C22 H18 N4 O3
InChI: InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
InChIKey: FRAOYGZBTRQIIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
CACTVS 3.370COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
ACDLabs 12.01O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(O)c3
Name:N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
ChEMBL: CHEMBL3343033
ZINC: ZINC000095921313
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).