Reaction Details Report a problem with these data
Target
Probable arabinosyltransferase A
Ligand
BDBM50215416
Substrate
n/a
Meas. Tech.
ChEMBL_447683 (CHEMBL896692)
IC50
2800000±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:
BDBM50215416
Synonyms:
(2R,3S,4S,5R)-2-((bis(cyclohexylmethyl)amino)methyl)-5-(((2S,3S,4S,5R)-5-((bis(cyclohexylmethyl)amino)methyl)-3,4-dihydroxy-tetrahydrofuran-2-yloxy)methyl)-tetrahydrofuran-3,4-diol | CHEMBL268773
Type:
Small organic molecule
Emp. Form.:
C39H70N2O7
Mol. Mass.:
678.9823
SMILES:
O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1CO[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: