BioLiP

PDB

BioLiP

PDB CCD ID:

WB1

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

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

InChIKey:

PHHZCIOPSFQASN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2c([nH]cc2C(O)=O)c1
ACDLabs 12.01	c1c(C)ccc2c(C(O)=O)cnc12
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)[nH]cc2C(=O)O

Name:

6-methyl-1H-indole-3-carboxylic acid

ZINC:

ZINC000020269197

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).