Reaction Details
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Glycylpeptide N-tetradecanoyltransferase
Ligand
BDBM185111
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
5±n/a nM
Comments
extracted
Citation
Brand, S; Wyatt, P; Thompson, S; Smith, V; Bayliss, T; Harrison, J; Norcross, N; Cleghorn, L; Gilbert, I; Brenk, R N-myristoyl transferase inhibitors US Patent US9156811 Publication Date 10/13/2015 More Info.:
Target
Name:
Glycylpeptide N-tetradecanoyltransferase
Synonyms:
Glycylpeptide N-tetradecanoyltransferase | N-myristoyltransferase (NMT1)
Type:
Protein
Mol. Mass.:
48514.36
Organism:
Leishmania major
Description:
Q4Q5S8
Residue:
421
Sequence:
MSRNPSNSDAAHAFWSTQPVPQTEDETEKIVFAGPMDEPKTVADIPEEPYPIASTFEWWTPNMEAADDIHAIYELLRDNYVEDDDSMFRFNYSEEFLQWALCPPNYIPDWHVAVRRKADKKLLAFIAGVPVTLRMGTPKYMKVKAQEKGEGEEAAKYDEPRHICEINFLCVHKQLREKRLAPILIKEATRRVNRTNVWQAVYTAGVLLPTPYASGQYFHRSLNPEKLVEIRFSGIPAQYQKFQNPMAMLKRNYQLPSAPKNSGLREMKPSDVPQVRRILMNYLDSFDVGPVFSDAEISHYLLPRDGVVFTYVVENDKKVTDFFSFYRIPSTVIGNSNYNLLNAAYVHYYAATSIPLHQLILDLLIVAHSRGFDVCNMVEILDNRSFVEQLKFGAGDGHLRYYFYNWAYPKIKPSQVALVML
Inhibitor
Name:
BDBM185111
Synonyms:
US9156811, DDD100872
Type:
Small organic molecule
Emp. Form.:
C23H30Cl2F2N4O3S
Mol. Mass.:
551.477
SMILES:
Cc1nn(C)c(C)c1N(C(F)F)[S+]([O-])(=O)c1c(Cl)cc(CCCOC2CN3CCC2CC3)cc1Cl |(-4.6,-3.05,;-5.93,-2.28,;-7.18,-3.19,;-8.43,-2.28,;-9.76,-3.05,;-7.95,-.82,;-8.72,.52,;-6.41,-.82,;-5.64,.52,;-6.41,1.85,;-5.64,3.19,;-7.95,1.85,;-4.1,.52,;-4.1,-1.02,;-4.1,2.06,;-2.56,.52,;-1.79,1.85,;-2.56,3.19,;-.25,1.85,;.52,.52,;2.06,.52,;2.83,-.82,;4.37,-.82,;5.14,.52,;6.68,.52,;7.45,-.82,;8.99,-.82,;9.76,.52,;8.99,1.85,;7.45,1.85,;8.47,1.22,;9,.3,;-.25,-.82,;-1.79,-.82,;-2.56,-2.15,)|
Structure:
