BioLiP

PDB

BioLiP

PDB CCD ID:

OAI

Number of entries in BioLiP:

Chemical formula:

C11 H8 N2 O5

InChI:

InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)

InChIKey:

AHWMERGBWWROMM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O
OpenEye OEToolkits 1.5.0	c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O
CACTVS 3.341	OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O

Name:

6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID

ChEMBL:

CHEMBL342478

DrugBank:

DB04001

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).