BioLiP

PDB

BioLiP

PDB CCD ID:

V7R

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O3 S

InChI:

InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2/t10-,11-

InChIKey:

VKVIEHIBAUUKCF-XYPYZODXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1N)S(=O)(=O)NC2CCC(CC2)O
CACTVS 3.385	Nc1ccc(cc1)[S](=O)(=O)N[CH]2CC[CH](O)CC2
CACTVS 3.385	Nc1ccc(cc1)[S](=O)(=O)N[C@@H]2CC[C@@H](O)CC2

Name:

4-azanyl-~{N}-(4-oxidanylcyclohexyl)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).