BioLiP

PDB

BioLiP

PDB CCD ID:

855

Number of entries in BioLiP:

Chemical formula:

C19 H15 N5

InChI:

InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)

InChIKey:

JONFDFIXMPXTRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4
CACTVS 3.341	Cc1cccc(n1)c2nc(Nc3ccncc3)c4ccccc4n2
ACDLabs 10.04	n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4

Name:

2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

ChEMBL:

CHEMBL570533

DrugBank:

DB07267

ZINC:

ZINC000038440844

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).