BACITRACIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1948)
Entry Type: Protein
Molecule Category: Parent
ATC: D06AX05
UNII: DDA3RRX0P7

Structure
InChI Key CLKOFPXJLQSYAH-ABRJDSQDSA-N
Smile CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1
InChI
InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H103N17O16S
Molecular Weight 1422.72
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR C55-isoprenyl pyrophosphate inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 5600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arrhythmias, Cardiac 3 D001145 ClinicalTrials
Paranasal Sinus Diseases 2 D010254 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Salt
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
43.73
Eye disorders
14.8
Skin and subcutaneous tissue disorders
12.28
Injury, poisoning and procedural complications
7.17
General disorders and administration site conditions
6.83
Nervous system disorders
2.52

Cross References

Resources Reference
CAS NUMBER 1405-87-4
ChEBI 35862
ChEMBL CHEMBL1200558
DrugBank DB00626
FDA SRS DDA3RRX0P7
Human Metabolome Database HMDB0014764
KEGG C15482
SureChEMBL SCHEMBL20385900
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