BioLiP

PDB

BioLiP

PDB CCD ID:

O6J

Number of entries in BioLiP:

Chemical formula:

C15 H19 N3 O2 S

InChI:

InChI=1S/C15H19N3O2S/c1-3-4-5-8-21(19,20)18-12-6-7-14-13(9-12)11(2)15(10-16)17-14/h6-7,9,17-18H,3-5,8H2,1-2H3

InChIKey:

YSEFPNYCRCSWGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C
ACDLabs 12.01	c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=O
CACTVS 3.385	CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1

Name:

N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide

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).