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BioLiP

PDB CCD ID: RD8
Number of entries in BioLiP: 0
Chemical formula: C22 H23 F N6 O3
InChI: InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1
InChIKey: BTTNOGHPGJANSW-IBGZPJMESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3
OpenEye OEToolkits 2.0.7CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4
CACTVS 3.385CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3
OpenEye OEToolkits 2.0.7CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4
ACDLabs 12.01c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c3)N4CC(OC4=O)CNC(C)=O
Name:Radezolid;
RX-1741
ChEMBL: CHEMBL455461
DrugBank: DB12339
ZINC: ZINC000040379938
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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