Reaction Details Report a problem with these data
Target
Carnitine monooxygenase oxygenase/reductase subunit
Ligand
BDBM356499
Substrate
n/a
Meas. Tech.
BCA Protein Assay
IC50
210000±n/a nM
Citation
 Garcia-Garcia, JC; Hazen, SL; Wos, JA Compounds and methods for inhibiting production of trimethylamine US Patent  US10213407 Publication Date 2/26/2019 
Target
Name:
Carnitine monooxygenase oxygenase/reductase subunit
Synonyms:
BL21*DE3::pET30a-Ec yeaWX
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Carnitine monooxygenase oxygenase subunit
Synonyms:
CNTA_ECOLI | Carnitine monooxygenase alpha subunit | yeaW
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42552.77
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
374
Sequence:
MSNLSPDFVLPENFCANPQEAWTIPARFYTDQNAFEHEKENVFAKSWICVAHSSELANANDYVTREIIGESIVLVRGRDKVLRAFYNVCPHRGHQLLSGEGKAKNVITCPYHAWAFKLDGNLAHARNCENVANFDSDKAQLVPVRLEEYAGFVFINMDPNATSVEDQLPGLGAKVLEACPEVHDLKLAARFTTRTPANWKNIVDNYLECYHCGPAHPGFSDSVQVDRYWHTMHGNWTLQYGFAKPSEQSFKFEEGTDAAFHGFWLWPCTMLNVTPIKGMMTVIYEFPVDSETTLQNYDIYFTNEELTDEQKSLIEWYRDVFRPEDLRLVESVQKGLKSRGYRGQGRIMADSSGSGISEHGIAHFHNLLAQVFKD
  
Component 2
Name:
Carnitine monooxygenase reductase subunit
Synonyms:
CNTB_ECOLI | Carnitine monooxygenase beta subunit | yeaX
Type:
Enzyme Catalytic Domain
Mol. Mass.:
35651.77
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
321
Sequence:
MSDYQMFEVQVSQVEPLTEQVKRFTLVATDGKPLPAFTGGSHVIVQMSDGDNQYSNAYSLLSSPHDTSCYQIAVRLEENSRGGSRFLHQQVKVGDRLTISTPNNLFALIPSARKHLFIAGGIGITPFLSHMAELQHSDVDWQLHYCSRNPESCAFRDELVQHPQAEKVHLHHSSTGTRLELARLLADIEPGTHVYTCGPEALIEAVRSEAARLDIAADTLHFEQFAIEDKTGDAFTLVLARSGKEFVVPEEMTILQVIENNKAAKVECLCREGVCGTCETAILEGEADHRDQYFSDEERASQQSMLICCSRAKGKRLVLDL
  
Inhibitor
Name:
BDBM356499
Synonyms:
US10213407, ID 8
Type:
Small organic molecule
Emp. Form.:
C7H12BrN3S
Mol. Mass.:
250.159
SMILES:
[Br-].C[N+](C)(CCN=C=S)CC#N
Structure:
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