BUB

1-BUTANE BORONIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where BUB is found as a standalone ligand2 entries where BUB is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-BUTANE BORONIC ACID
Systematic Name (OpenEye OEToolkits)	butylboronic acid
Formula	C₄ H₁₁ B O₂
Molecular Weight	101.94
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OB(O)CCCC
SMILES	CACTVS	3.385	CCCCB(O)O
SMILES	OpenEye OEToolkits	1.7.6	B(CCCC)(O)O
Canonical SMILES	CACTVS	3.385	CCCCB(O)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	B(CCCC)(O)O
InChI	InChI	1.03	InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChIKey	InChI	1.03	QPKFVRWIISEVCW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02664
Name	1-Butane Boronic Acid
Groups	experimental
Synonyms	1-Butane Boronic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bacterial leucyl aminopeptidase	MKYTKTLLAMVLSATFCQAYAEDKVWISIGADANQTVMKSGAESILPNSV...	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