BioLiP

PDB

BioLiP

PDB CCD ID:

GRI

Number of entries in BioLiP:

Chemical formula:

C15 H10 N2 O4

InChI:

InChI=1S/C15H10N2O4/c1-21-11-6-5-8(7-18)12-14(11)17-13-9(15(19)20)3-2-4-10(13)16-12/h2-7H,1H3,(H,19,20)

InChIKey:

NJJLLHHIAVHAEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O
ACDLabs 12.01	O=C(O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O
CACTVS 3.370	COc1ccc(C=O)c2nc3cccc(C(O)=O)c3nc12

Name:

6-formyl-9-methoxyphenazine-1-carboxylic acid

ZINC:

ZINC000095921318

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).