BioLiP

PDB

BioLiP

PDB CCD ID:

PXA

Number of entries in BioLiP:

Chemical formula:

C15 H11 N3 O6

InChI:

InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)

InChIKey:

HKYXOCMZOYRJAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O
CACTVS 3.385	Cc1cnc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
ACDLabs 10.04	O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O

Name:

2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE;
(8-AZA)PHENOXAZINE

ZINC:

ZINC000033430555

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).