BioLiP

PDB

BioLiP

PDB CCD ID:

LSL

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O2 S

InChI:

InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)

InChIKey:

UUYNWXQYZUGELG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)c1ccc(CNCc2cscc2)cc1
ACDLabs 12.01	ONC(=O)c1ccc(CNCc2ccsc2)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CNCc2ccsc2)C(=O)NO

Name:

N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide

ChEMBL:

CHEMBL5208990

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).