BioLiP

PDB

BioLiP

PDB CCD ID:

TF9

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O4 S

InChI:

InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)

InChIKey:

VGZSUPCWNCWDAN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2
CACTVS 3.385	CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2

Name:

acetohexamide;
1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea

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).