polymyxin B   Click here for help

GtoPdb Ligand ID: 10338

Synonyms: Aerosporin®
Approved drug
polymyxin B is an approved drug (FDA (1964, no prior history available))
Comment: Polymyxin B is an antimicrobial. It is a mixture of the polypeptides polymyxins B1 and B2, both obtained from Bacillus polymyxa strains. It has bactericidal action against almost all gram-negative bacilli except the Proteus group.
2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCCC(CC)C)CCN
Isomeric SMILES NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCCC(CC)C)CCN
InChI InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
InChI Key WQVJHHACXVLGBL-UHFFFAOYSA-N
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Summary of Clinical Use Click here for help
Used to treat gram-negative bacterial infections.
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