BioLiP

PDB

BioLiP

PDB CCD ID:

IEU

Number of entries in BioLiP:

Chemical formula:

C23 H22 Cl N5 O2

InChI:

InChI=1S/C23H22ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13-14H,9-12,15H2,1H3

InChIKey:

KKBDXIIVHVQEDV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(nc1COc2nc3ccc(Cl)cc3c(n2)N4CCOCC4)c5ccccc5
ACDLabs 14.52	Cn1cc(nc1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1
OpenEye OEToolkits 3.1.0.0	Cn1cc(nc1COc2nc3ccc(cc3c(n2)N4CCOCC4)Cl)c5ccccc5

Name:

6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline

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).