BioLiP

PDB

BioLiP

PDB CCD ID:

U7V

Number of entries in BioLiP:

Chemical formula:

C17 H15 F N6 O3

InChI:

InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1

InChIKey:

XFALPSLJIHVRKE-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CO
CACTVS 3.385	Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CO)OC4=O
ACDLabs 12.01	c2cc(c1nn(C)nn1)ncc2c3c(F)cc(cc3)N4CC(OC4=O)CO
CACTVS 3.385	Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[CH](CO)OC4=O
OpenEye OEToolkits 2.0.7	Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO

Name:

Tedizolid;
torezolid;
Sivextro, TR-700

ChEMBL:

CHEMBL1257051

DrugBank:

DB14569

ZINC:

ZINC000043100956

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).