BioLiP

PDB

BioLiP

PDB CCD ID:

VEO

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O3

InChI:

InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

InChIKey:

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2[nH]c(cc2c1)C(O)=O
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)cc([nH]2)C(=O)O

Name:

5-methoxy-1H-indole-2-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).