BioLiP

PDB

BioLiP

PDB CCD ID:

JCO

Number of entries in BioLiP:

Chemical formula:

C16 H22 N2 O3 S

InChI:

InChI=1S/C16H22N2O3S/c1-2-18-15-9-8-13(10-12(15)11-16(18)19)17-22(20,21)14-6-4-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3

InChIKey:

OTQKWYLWWLILAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN1C(=O)Cc2cc(N[S](=O)(=O)C3CCCCC3)ccc12
OpenEye OEToolkits 2.0.7	CCN1c2ccc(cc2CC1=O)NS(=O)(=O)C3CCCCC3

Name:

N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide;
N-(1-ethyl-2-oxoindolin-5-yl)cyclohexanesulfonamide

ZINC:

ZINC000010063720

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).