BioLiP

PDB

BioLiP

PDB CCD ID:

WUB

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O2

InChI:

InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-3,5-8,12,15H,4H2,(H,16,17)/t8-,12+/m1/s1

InChIKey:

JMGCBMVXHPNSFZ-PELKAZGASA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)[CH]1CC=CC2=Nc3ccccc3N[CH]12
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)NC3C(CC=CC3=N2)C(=O)O
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O
CACTVS 3.370	OC(=O)[C@@H]1CC=CC2=Nc3ccccc3N[C@@H]12
ACDLabs 12.01	O=C(O)C3CC=CC2=Nc1ccccc1NC23

Name:

(1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid

ZINC:

ZINC000100190646

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).