BioLiP

PDB

BioLiP

PDB CCD ID:

A1IU6

Number of entries in BioLiP:

Chemical formula:

C15 H16 F N3 O4 S

InChI:

InChI=1S/C15H16FN3O4S/c16-24(21,22)12-6-1-3-10(7-12)9-17-15(20)18-14-8-13(23-19-14)11-4-2-5-11/h1,3,6-8,11H,2,4-5,9H2,(H2,17,18,19,20)

InChIKey:

UCNLFXFYUCPVKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)S(=O)(=O)F)CNC(=O)Nc2cc(on2)C3CCC3
CACTVS 3.385	F[S](=O)(=O)c1cccc(CNC(=O)Nc2cc(on2)C3CCC3)c1

Name:

3-[[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzenesulfonyl fluoride

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).