BioLiP

PDB

BioLiP

PDB CCD ID:

OHL

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O5 S

InChI:

InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)

InChIKey:

BWTYNJYIHZVAOW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO
CACTVS 3.370	COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
ACDLabs 12.01	O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2
OpenEye OEToolkits 1.7.2	COc1ccc(cc1)S(=O)(=O)N(Cc2ccncc2)CC(=O)NO

Name:

N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide;
N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide

ChEMBL:

CHEMBL315949

ZINC:

ZINC000013764109

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).