BioLiP

PDB

BioLiP

PDB CCD ID:

HQB

Number of entries in BioLiP:

Chemical formula:

C12 H9 N5 O2

InChI:

InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)

InChIKey:

WJQCMHKMNXKJQR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6	CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]

Name:

~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine

ChEMBL:

CHEMBL4778413

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).