BioLiP

PDB

BioLiP

PDB CCD ID:

A1D6L

Number of entries in BioLiP:

Chemical formula:

C18 H17 F N4 O

InChI:

InChI=1S/C18H17FN4O/c1-24-13-5-7-16-11(9-13)3-2-8-23(16)17-14-10-12(19)4-6-15(14)21-18(20)22-17/h4-7,9-10H,2-3,8H2,1H3,(H2,20,21,22)

InChIKey:

QRFXADWMVRRLAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2N(CCCc2c1)c3nc(N)nc4ccc(F)cc34
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)CCCN2c3c4cc(ccc4nc(n3)N)F

Name:

6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)quinazolin-2-amine

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).