CXB

[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID

Created:	2003-02-24
Last modified:	2011-06-04

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1 entries where CXB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	5

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Chemical Component Summary
Name	[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID
Systematic Name (OpenEye OEToolkits)	[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]methylboronic acid
Formula	C₇ H₁₁ B N₄ O₄ S
Molecular Weight	258.063
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C(=N\OC)/c1nc(sc1)N)NCB(O)O
SMILES	CACTVS	3.341	CON=C(C(=O)NCB(O)O)c1csc(N)n1
SMILES	OpenEye OEToolkits	1.5.0	B(CNC(=O)C(=NOC)c1csc(n1)N)(O)O
Canonical SMILES	CACTVS	3.341	CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O
InChI	InChI	1.03	InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-
InChIKey	InChI	1.03	FMYGJTQJYFMFCR-XGICHPGQSA-N

Drug Info: DrugBank

DrugBank ID	DB07599
Name	[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID
Groups	experimental
Synonyms	[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase TEM	MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...	unknown

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