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Target
D-alanine--D-alanyl carrier protein ligase
Ligand
BDBM392750
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
30.0±n/a nM
Citation
 Atamanyuk, D; Chevreuil, F; Faivre, F; Lecointe, N; Ledoussal, B; Oliveira, C; Simon, C; Gerusz, V Heteroaromatic derivatives and their use as pharmaceuticals US Patent  US10301305 Publication Date 5/28/2019 
Target
Name:
D-alanine--D-alanyl carrier protein ligase
Synonyms:
D-alanine--poly(phosphoribitol) ligase subunit 1 | DAE | DCL | dltA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
56357.51
Organism:
Enterococcus faecalis (strain ATCC 700802 / V583)
Description:
n/a
Residue:
506
Sequence:
MEKVINMIQTIDEWARKEPQRPVYLTEEKVSTYGELKEKSDNLAAYLAELKTDKSAIVVYGELDFEMIVSFLGASKAGFSYIPIDAHTPKERIELILNVAKPTAVIAVHEWPELATEVPVITAEELTEMMMHAPRHAPALMPVTGASNYYIIFTSGTTGVPKGVQISHDNLVSFTNWLLQDFGLEEGARFLAQAPYSFDLSVMSIYPALALGGSLTPLPNEIINDFKQLFTRLPQLTIDVWVSTPSFIELCLMEPSFDGEHLPALRTFLFCGEELPKPTAEKLAARFPTAHIYNTYGPTEATVAISAIEITQEVLKSVQRLPIGYVKEDTQIYIMEGMSKLPAGEIGEIVIAGPSVSKGYLNNPAKTAEAFFQLDGVPAYRTGDAGKLVDNLLQYEGRLDFQIKLHGYRIELEEVDHHLTNVSYVKQAVVVPKYQGNKVQQLIAYVVPQAHEFSSDFQLTKAIKQELATLTMDYMIPQKFVYVEQLPLTSNGKIDRKGLMNEVNAT
  
Inhibitor
Name:
BDBM392750
Synonyms:
US10301305, Example 43 | [(S)-1-(1′-Cyclohexyl-7-nitro-1H,1′H-[4,5′]bibenzimidazolyl-6-yl)-pyrrolidin-3-yl]-methanol
Type:
Small organic molecule
Emp. Form.:
C25H28N6O3
Mol. Mass.:
460.5282
SMILES:
OC[C@H]1CCN(C1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1[N+]([O-])=O |r|
Structure:
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