BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0D

Number of entries in BioLiP:

Chemical formula:

C14 H8 N2 O10

InChI:

InChI=1S/C14H8N2O10/c17-10(18)3-1-5(12(21)22)16-9(14(25)26)7(3)8-4(11(19)20)2-6(15-8)13(23)24/h1-2,15H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)

InChIKey:

OMWMZNBYJDZPNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(c([nH]c1C(=O)O)c2c(cc(nc2C(=O)O)C(=O)O)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)c1[nH]c(c(c1)C(O)=O)c2c(cc(nc2C(O)=O)C(O)=O)C(O)=O

Name:

3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid;
PYRROLOQUINOLINE QUINONE [CHARGED]

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).