BioLiP

PDB

BioLiP

PDB CCD ID:

SQ4

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O2

InChI:

InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2

InChIKey:

XOPCHXSYQHXLHJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1N)N2C(=O)C=CC2=O
CACTVS 3.385	Nc1ccc(cc1)N2C(=O)C=CC2=O

Name:

1-(4-aminophenyl)pyrrole-2,5-dione

ZINC:

ZINC000002169111

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).