Reaction Details Report a problem with these data
Target
D-alanine--D-alanyl carrier protein ligase
Ligand
BDBM392757
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
36.0±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:
BDBM392757
Synonyms:
1′-Cyclohexyl-6-(hexahydro-pyrrolo[3,4-c]pyrrol-2-yl)-1H,1′H-[4,5′]bibenzimidazolyl-7-carboxylic acid amide hydrochloride | US10301305, Example 65
Type:
Small organic molecule
Emp. Form.:
C27H31N7O
Mol. Mass.:
469.5813
SMILES:
NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CC2CNCC2C1
Structure:
Search PDB for entries with ligand similarity: