BioLiP

PDB

BioLiP

PDB CCD ID:

A1IBC

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2 S

InChI:

InChI=1S/C10H13NO2S/c12-14(13,11-8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2

InChIKey:

ZEEQKMBWAJJCNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)NCC2CC2
CACTVS 3.385	O=[S](=O)(NCC1CC1)c2ccccc2

Name:

~{N}-(cyclopropylmethyl)benzenesulfonamide

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).