BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWK

Number of entries in BioLiP:

Chemical formula:

C16 H10 N2 O2

InChI:

InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H

InChIKey:

QQILFGKZUJYXGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O

Name:

2-(3-oxidanyl-1H-indol-2-yl)indol-3-one

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).