Reaction Details Report a problem with these data
Target
D-alanine--D-alanyl carrier protein ligase
Ligand
BDBM392775
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
15.0±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:
BDBM392775
Synonyms:
1′-Ethyl-6-[methyl-(2-methylamino-ethyl)-amino]-1H,1′H-[4,5′]bibenzimidazolyl-7-carboxamide | US10301305, Example 142
Type:
Small organic molecule
Emp. Form.:
C22H29N7O
Mol. Mass.:
407.512
SMILES:
CCN1C=NC2=CC(=CCC12)c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12 |c:3,7,t:5|
Structure:
Search PDB for entries with ligand similarity: