BioLiP

PDB

BioLiP

PDB CCD ID:

A1D6E

Number of entries in BioLiP:

Chemical formula:

C19 H19 F N4 O

InChI:

InChI=1S/C19H19FN4O/c1-21-19-22-16-7-5-13(20)11-15(16)18(23-19)24-9-3-4-12-10-14(25-2)6-8-17(12)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)

InChIKey:

DAVWFLTXXUUQRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNc1nc2ccc(cc2c(n1)N3CCCc4c3ccc(c4)OC)F
CACTVS 3.385	CNc1nc2ccc(F)cc2c(n1)N3CCCc4cc(OC)ccc34

Name:

6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-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).