Drug Information

Drug General Information
Drug ID
D0C9BH
Former ID
DNC003405
Drug Name
Clorobiocin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551404]
Structure
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2D MOL

3D MOL
Formula
C35H37ClN2O11
Canonical SMILES
CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(<br />=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O
InChI
1S/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/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
InChIKey
FJAQNRBDVKIIKK-LFLQOBSNSA-N
CAS Number
CAS 39868-96-7
PubChem Compound ID
54706138
PubChem Substance ID
14187, 614260, 825307, 7886487, 15088610, 43129522, 46392398, 50037812, 57319183, 74501087, 103068811, 103081282, 103257215, 104355678, 117622873, 123109432, 127854382, 135032502, 137156466, 137972013, 226654027, 232609940, 241069166, 244115206
Target and Pathway
Target(s) DNA topoisomerase II Target Info Inhibitor [551404]
References
Ref 551404The 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.
Ref 551404The 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.

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