BioLiP

PDB

BioLiP

PDB CCD ID:

73D

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3

InChIKey:

ORYSFKVWQQMDAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	CCN1c2ccccc2C(=O)C1=O
CACTVS 3.385	CCN1C(=O)C(=O)c2ccccc12

Name:

1-ethylindole-2,3-dione

ZINC:

ZINC000001764478

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).