NBF

[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID

Created:	2003-02-24
Last modified:	2024-09-27

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2 entries where NBF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	11

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Chemical Component Summary
Name	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
Systematic Name (OpenEye OEToolkits)	[(2-ethoxynaphthalen-1-yl)carbonylamino]methylboronic acid
Formula	C₁₄ H₁₆ B N O₄
Molecular Weight	273.092
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O
SMILES	CACTVS	3.341	CCOc1ccc2ccccc2c1C(=O)NCB(O)O
SMILES	OpenEye OEToolkits	1.5.0	B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O
Canonical SMILES	CACTVS	3.341	CCOc1ccc2ccccc2c1C(=O)NCB(O)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O
InChI	InChI	1.03	InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
InChIKey	InChI	1.03	VGXJNGVFESCMME-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02841
Name	[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid
Groups	experimental
Synonyms	[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid

Drug Targets

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