BioLiP

PDB

BioLiP

PDB CCD ID:

3F7

Number of entries in BioLiP:

Chemical formula:

C14 H8 N2 O4

InChI:

InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H

InChIKey:

AQGZJQNZNONGKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
CACTVS 3.385	O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
OpenEye OEToolkits 1.9.2	c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O

Name:

1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)

ChEMBL:

CHEMBL576594

ZINC:

ZINC000000156949

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).