BioLiP

PDB

BioLiP

PDB CCD ID:

A1AXE

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)

InChIKey:

DJQOGNYSBOIJKE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccc2ccc(cc12)C(O)=O
OpenEye OEToolkits 2.0.7	Cn1ccc2c1cc(cc2)C(=O)O
ACDLabs 12.01	O=C(O)c1ccc2ccn(C)c2c1

Name:

1-methyl-1H-indole-6-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).