Therapeutic Targets Database
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TTD Drug ID: DNC003405

Drug Information
NameClorobiocin
IndicationNot AvailableExperimental    
Structure

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InChI1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-
26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)
35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,3
7,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
InChIKeyFJAQNRBDVKIIKK-LFLQOBSNSA-N
Canonical SMILESCC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)
C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O    
Isomeric SMILESCC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C
(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O
CAS NumberCAS 39868-96-7
PubChem Compound IDCID 54706138.
TargetDNA gyrase subunit BInhibitor[1]
Ref 1Tsai FT, Singh OM, Skarzynski T, Wonacott AJ, Weston S, Tucker A, Pauptit RA, Breeze AL, Poyser JP, O’Brien R, Ladbury JE, Wigley DB: The high-resolution crystal structure of a 24-kDa gyrase B fragment from E. coli complexed with one of the most potent coumarin inhibitors, clorobiocin. Proteins. 1997 May;28(1):41-52. To Reference



 

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