SEQ2FUN

BioLiP

PDB CCD ID: U7Y
Number of entries in BioLiP: 0
Chemical formula: C17 H15 F N6 O3
InChI: InChI=1S/C17H15FN6O3/c1-23-16(20-21-22-23)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: WFAZKGCKGCUHAN-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c4(c1ncc(cc1)c2c(cc(cc2)N3C(=O)OC(C3)CO)F)n(C)nnn4
CACTVS 3.385Cn1nnnc1c2ccc(cn2)c3ccc(cc3F)N4C[CH](CO)OC4=O
CACTVS 3.385Cn1nnnc1c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CO)OC4=O
OpenEye OEToolkits 2.0.7Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO
OpenEye OEToolkits 2.0.7Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CO
Name:Tedizolid isomer;
(5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
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).