BioLiP

PDB

BioLiP

PDB CCD ID:

FG9

Number of entries in BioLiP:

Chemical formula:

C18 H22 N6 O

InChI:

InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)

InChIKey:

LRBZZLHCFITOFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N
CACTVS 3.385	Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13

Name:

~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

ChEMBL:

CHEMBL4748345

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).