BioLiP

PDB

BioLiP

PDB CCD ID:

O2L

Number of entries in BioLiP:

Chemical formula:

C17 H16 F4 N2 O4 S

InChI:

InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)

InChIKey:

SJWJGLIJTRUXIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F
ACDLabs 12.01	Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C
OpenEye OEToolkits 2.0.7	CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F

Name:

N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide

ChEMBL:

CHEMBL5177475

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).