4D6

Vaborbactam

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is present as a standalone ligand in 3 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 9 entries

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Chemical Component Summary
Name	Vaborbactam
Synonyms	2-((3R,6S)-2-hydroxy-3-(2-(thiophen-2-yl)acetamido)-1,2-oxaborinan-6-yl)acetic acid; 2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid; 1,2-Oxaborinane-6-acetic acid, 2-hydroxy-3-((2-(2-thienyl)acetyl)amino)-, (3R,6S)-; 56649692; CHEMBL3317857; {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid; DB12107
Identifiers	2-[(3R,6S)-2-oxidanyl-3-(2-thiophen-2-ylethanoylamino)-1,2-oxaborinan-6-yl]ethanoic acid
Formula	C₁₂ H₁₆ B N O₅ S
Molecular Weight	297.135
Type	NON-POLYMER
Isomeric SMILES	B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O
InChI	InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
InChIKey	IOOWNWLVCOUUEX-WPRPVWTQSA-N

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	5

Drug Info: DrugBank

DrugBank ID	DB12107
Name	Vaborbactam
Groups	approved investigational
Description	Vaborbactam is a β-lactamase inhibitor based on a cyclic boronic acid pharmacophore.[A32053] It has been used in trials investigating the treatment of bacterial infections in subjects with varying degrees of renal insufficiency. In August 2017, a combination antibacterial therapy under the market name Vabomere was approved by the FDA for the treatment of adult patients with complicated urinary tract infections (cUTI). Vabomere consists of vaborbactam and [Meropenem] for intravenous administration. Vaborbactam is added to the therapy to reduce the extent meropenem degradation by inhibiting the serine beta-lactamases expressed by the microorganism of target.[Label] The treatment aims to resolve infection-related symptoms of cUTI and achieve negative urine culture, when the infections are proven or strongly suspected to be caused by susceptible bacteria.
Synonyms	Vaborbactam
Brand Names	Vabomere Vaborem
Indication	Indicated in combination with meropenem for the treatment of patients 18 years of age and older with complicated urinary tract infections (cUTI) including pyelonephritis caused by the following susceptible microorganisms: _Escherichia coli_, _Klebsiella pneumoniae_, and _Enterobacter cloacae_ species complex.[FDA Label]
Categories	Acids Acids, Noncarboxylic Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use beta-Lactamase Inhibitors Boron Compounds Drugs that are Mainly Renally Excreted Enzyme Inhibitors
ATC-Code	J01DH52
CAS number	1360457-46-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAV...	unknown	inhibitor
Carbapenem-hydrolyzing beta-lactamase KPC	MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMD...	unknown	inhibitor
Beta-lactamase (KPC-2)	MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMD...	unknown	inhibitor
Beta-lactamase CTX-M	MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...	unknown	inhibitor
Beta-lactamase (blaSHV)	GLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTS...	unknown	inhibitor
Beta-lactamase SHV-1	MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...	unknown	inhibitor
Beta-lactamase TEM	MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...	unknown	inhibitor
Beta-lactamase (MIR-1)	MMTKSLSCALLLSVASSAFAAPMSEKQLAEVVERTVTPLMNAQAIPGMAV...	unknown	inhibitor
Beta-lactamase	MQQRRAFALLTLGSLLLAPCTYARGEAPLTAAVDGIIQPMLKEYRIPGMA...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682