BioLiP

PDB

BioLiP

PDB CCD ID:

8OW

Number of entries in BioLiP:

Chemical formula:

C21 H17 F N4

InChI:

InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26)

InChIKey:

YRJQJSNYMBUYLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N
CACTVS 3.385	Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4

Name:

~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine

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).