BioLiP

PDB

BioLiP

PDB CCD ID:

FZ1

Number of entries in BioLiP:

Chemical formula:

C24 H23 N5 O

InChI:

InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3

InChIKey:

BNLATJNUBANGFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5
ACDLabs 12.01	n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC3)cccc4)c5ncccc5
OpenEye OEToolkits 1.7.6	COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5

Name:

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline

ChEMBL:

CHEMBL4079583

ZINC:

ZINC000095921329

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).