BioLiP

PDB

BioLiP

PDB CCD ID:

QIA

Number of entries in BioLiP:

Chemical formula:

C19 H14 N4 O2

InChI:

InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25)

InChIKey:

HEVVNKYNJCSHFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O
CACTVS 3.385	OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24

Name:

5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid

ChEMBL:

CHEMBL5288779

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).