Reaction Details Report a problem with these data
Target
D-alanine--D-alanyl carrier protein ligase
Ligand
BDBM392738
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
18.0±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
More Info.:
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:
BDBM392738
Synonyms:
(3R,4R)-1-[7-(1-Cyclohexyl-1H-benzimidazol-5-yl)-3H-imidazo[4,5-b]pyridin-5-yl]-4-hydroxymethyl-piperidin-3-ol | US10301305, Example 2
Type:
Small organic molecule
Emp. Form.:
C25H30N6O2
Mol. Mass.:
446.5447
SMILES:
OC[C@H]1CCN(C[C@@H]1O)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1 |r|