BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3D

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O3

InChI:

InChI=1S/C9H7NO3/c11-8-4-6-3-5(9(12)13)1-2-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13)

InChIKey:

LLLKBUWXODIMEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C(=O)O)CC(=O)N2

Name:

2-oxidanylidene-1,3-dihydroindole-5-carboxylic acid

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).