BioLiP

PDB

BioLiP

PDB CCD ID:

JTA

Number of entries in BioLiP:

Chemical formula:

C10 H6 N2 O5

InChI:

InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)

InChIKey:

BMIZBCVEHSUUNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-]
CACTVS 3.385	OC(=O)c1cnc2c(cccc2[N+]([O-])=O)c1O
OpenEye OEToolkits 2.0.6	c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O

Name:

4-hydroxy-8-nitroquinoline-3-carboxylic acid

ChEMBL:

CHEMBL176599

ZINC:

ZINC000005545970

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).