BioLiP

PDB

BioLiP

PDB CCD ID:

R9K

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N O2

InChI:

InChI=1S/C16H12ClNO2/c1-9-5-4-7-11-13(10-6-2-3-8-12(10)17)15(16(19)20)18-14(9)11/h2-8,18H,1H3,(H,19,20)

InChIKey:

CXZJJQHOJSSHGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl
OpenEye OEToolkits 2.0.7	Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O

Name:

3-(2-chlorophenyl)-7-methyl-1~{H}-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).