SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C8 H7 F N2 O4 S

InChI:

InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2

InChIKey:

ATANXIMWDMRRIO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Fc1ccc(cc1)[S](=O)(=O)NCC(=O)N=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O
ACDLabs 10.04	O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O

Name:

2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide;
4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide

DrugBank:

ZINC:

ZINC000039715708

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).