Reaction Details Report a problem with these data
Target
Probable arabinosyltransferase A
Ligand
BDBM50215417
Substrate
n/a
Meas. Tech.
ChEMBL_447683 (CHEMBL896692)
IC50
4150000±n/a nM
Citation
 Pathak, AK; Pathak, V; Riordan, JR; Suling, WJ; Gurcha, SS; Besra, GS; Reynolds, RC Synthesis of symmetrical C- and pseudo-symmetrical O-linked disaccharide analogs for arabinosyltransferase inhibitory activity in Mycobacterium tuberculosis. Bioorg Med Chem Lett 17:4527-30 (2007) [PubMed]  Article 
Target
Name:
Probable arabinosyltransferase A
Synonyms:
Arabinosyltransferase A | EMBA_MYCTU | Probable arabinosyltransferase A | embA
Type:
PROTEIN
Mol. Mass.:
115749.86
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_447683
Residue:
1094
Sequence:
MPHDGNERSHRIARLAAVVSGIAGLLLCGIVPLLPVNQTTATIFWPQGSTADGNITQITAPLVSGAPRALDISIPCSAIATLPANGGLVLSTLPAGGVDTGKAGLFVRANQDTVVVAFRDSVAAVAARSTIAAGGCSALHIWADTGGAGADFMGIPGGAGTLPPEKKPQVGGIFTDLKVGAQPGLSARVDIDTRFITTPGALKKAVMLLGVLAVLVAMVGLAALDRLSRGRTLRDWLTRYRPRVRVGFASRLADAAVIATLLLWHVIGATSSDDGYLLTVARVAPKAGYVANYYRYFGTTEAPFDWYTSVLAQLAAVSTAGVWMRLPATLAGIACWLIVSRFVLRRLGPGPGGLASNRVAVFTAGAVFLSAWLPFNNGLRPEPLIALGVLVTWVLVERSIALGRLAPAAVAIIVATLTATLAPQGLIALAPLLTGARAIAQRIRRRRATDGLLAPLAVLAAALSLITVVVFRDQTLATVAESARIKYKVGPTIAWYQDFLRYYFLTVESNVEGSMSRRFAVLVLLFCLFGVLFVLLRRGRVAGLASGPAWRLIGTTAVGLLLLTFTPTKWAVQFGAFAGLAGVLGAVTAFTFARIGLHSRRNLTLYVTALLFVLAWATSGINGWFYVGNYGVPWYDIQPVIASHPVTSMFLTLSILTGLLAAWYHFRMDYAGHTEVKDNRRNRILASTPLLVVAVIMVAGEVGSMAKAAVFRYPLYTTAKANLTALSTGLSSCAMADDVLAEPDPNAGMLQPVPGQAFGPDGPLGGISPVGFKPEGVGEDLKSDPVVSKPGLVNSDASPNKPNAAITDSAGTAGGKGPVGINGSHAALPFGLDPARTPVMGSYGENNLAATATSAWYQLPPRSPDRPLVVVSAAGAIWSYKEDGDFIYGQSLKLQWGVTGPDGRIQPLGQVFPIDIGPQPAWRNLRFPLAWAPPEADVARIVAYDPNLSPEQWFAFTPPRVPVLESLQRLIGSATPVLMDIATAANFPCQRPFSEHLGIAELPQYRILPDHKQTAASSNLWQSSSTGGPFLFTQALLRTSTIATYLRGDWYRDWGSVEQYHRLVPADQAPDAVVEEGVITVPGWGRPGPIRALP
  
Inhibitor
Name:
BDBM50215417
Synonyms:
(2R,3S,4S,5R)-2-((bis(cyclohexylmethyl)amino)methyl)-5-(2-((2R,3S,4S,5R)-5-((bis(cyclohexylmethyl)amino)methyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)vinyl)-tetrahydrofuran-3,4-diol | CHEMBL409409
Type:
Small organic molecule
Emp. Form.:
C40H70N2O6
Mol. Mass.:
674.9936
SMILES:
O[C@H]1[C@H](O)[C@H](O[C@@H]1CN(CC1CCCCC1)CC1CCCCC1)\C=C\[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O
Structure:
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