BioLiP

PDB

BioLiP

PDB CCD ID:

917

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O3 S

InChI:

InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1

InChIKey:

WTZZWIUUAPRUHM-ZDUSSCGKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(cc2)c3scnc3
OpenEye OEToolkits 2.0.6	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)c3cncs3
OpenEye OEToolkits 2.0.6	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3
CACTVS 3.385	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3scnc3
ACDLabs 12.01	c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O

Name:

N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide;
Llinezolid-114

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).