BioLiP

PDB

BioLiP

PDB CCD ID:

A1I93

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O2

InChI:

InChI=1S/C14H11N3O2/c1-15-13-10-4-5-16-7-11(10)9-3-2-8(14(18)19)6-12(9)17-13/h2-7H,1H3,(H,15,17)(H,18,19)

InChIKey:

UUFGCPLCMABNIX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1nc2cc(ccc2c3cnccc13)C(O)=O
OpenEye OEToolkits 2.0.7	CNc1c2ccncc2c3ccc(cc3n1)C(=O)O

Name:

5-(methylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid

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).