3BB

3-BROMOBUT-3-EN-1-OL

Created:	2004-11-03
Last modified:	2021-03-01

Find Related PDB Entry
1 entries where 3BB is found as a standalone ligand

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	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-BROMOBUT-3-EN-1-OL
Synonyms	3-BROMO-3-BUTEN-1-OL
Systematic Name (OpenEye OEToolkits)	3-bromobut-3-en-1-ol
Formula	C₄ H₇ Br O
Molecular Weight	151.002
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Br/C(=C)CCO
SMILES	CACTVS	3.341	OCCC(Br)=C
SMILES	OpenEye OEToolkits	1.5.0	C=C(CCO)Br
Canonical SMILES	CACTVS	3.341	OCCC(Br)=C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C=C(CCO)Br
InChI	InChI	1.03	InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
InChIKey	InChI	1.03	RTKMFQOHBDVEBC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04592
Name	3-Bromo-3-buten-1-ol
Groups	experimental
Synonyms	3-Bromo-3-buten-1-ol
CAS number	76334-36-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methane monooxygenase component A alpha chain	MALSTATKAATDALAANRAPTSVNAQEVHRWLQSFNWDFKNNRTKYATKY...	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