Covpdb









Ligand
Ligand Name:   BTZ043
Ligand Type:   non-polymer
Ligand ID:   COVPDB42 PubChem:   42609849
Synonym(s):  
  •   1161233-85-7
  • btz-043
  • unii-g55zh52p57
  • btz-10526043
  • (s)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one
  • btz 043
  • g55zh52p57
  • mmv676603
  • 1161233-85-7 (s-isomer)
  • 2-[(3s)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
  • 4h-1,3-benzothiazin-4-one, 2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-
  • schembl2488829
  • btz043-racemate
  • pbtz 169
  • chembl1822872
  • dtxsid80151286
  • bcpp000312
  • btz-043;btz 043
  • ex-a1012
  • mfcd17215196
  • zinc43208590
  • bcp9000457
  • cs-5635
  • sb22928
  • as-74893
  • btz 10526043
  • hy-13579
  • btz043 - btz038 - btz044
  • q27278777
  • [2-[(3s)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-4-oxo-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]azinic acid
  • 2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
show 30 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1822872
Canonical SMILES:   O1C[C@H](C)OC12CCN(CC2)c(s3)nc(=O)c(c34)cc(C(F)(F)F)cc4[N+]([O-])=O
Standard InChI:   InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
Molecular Formula:   C17H16F3N3O5S Mol. Weight:   431.07626 logP:   3.3153
HBD:   0 HBA:   8
#Rotatable Bonds:   2 TPSA:   94.8

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Decaprenylphosphoryl-beta-D-ribose oxidase P9WJF1 (DPRE1_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 6HEZ 0SK
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