BioLiP

PDB

BioLiP

PDB CCD ID:

A1BHY

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O4 S

InChI:

InChI=1S/C15H17N3O4S/c1-23(21,22)18(11-13-3-2-8-16-9-13)10-12-4-6-14(7-5-12)15(19)17-20/h2-9,20H,10-11H2,1H3,(H,17,19)

InChIKey:

BDVZKWUCVMLCDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
CACTVS 3.385	C[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
ACDLabs 14.52	ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(C)(=O)=O

Name:

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

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).