Reaction Details Report a problem with these data
Target
D-alanine--D-alanyl carrier protein ligase
Ligand
BDBM392802
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
3.60±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.:
56736.38
Organism:
Enterococcus faecium E1679
Description:
Q3XZT7
Residue:
504
Sequence:
MEIKTIIEAIDDWGINEPDRVAYQADETHTFGELKQASDALAYYLEKKVEGDGPIVVFGNLEFEMIVSFLGVVKSGHAYLPIEEHTPKERILSIFRVAKPSMVISIGDWIEDIPSVPVITKKEFQEIKKIPVGFYPRNSVKGTENFYIIFTSGTTGEPKGVQISHDNLVSFVQWTMEDFGIKPGMHFLAQAPFSFDLSVFSIYPALVSGGMLKPLNKAVVQDFRQLFATLPALKLNVWVSTPSFMDICLMEPTFNGENVPELDMFLFCGEELTKKTAESLLDRFPNARIYNTYGPTEATVAISSIQIDQHVLDSYDRLPIGYVKKDTKVSIVQEGKPVSKGETGEIIIAGPSVSKGYLNNPEKTAAAFFCQNDLASYHTGDAGRLDEYGLLFYEGRMDQQVKLHGYRIELGDIEHYLLQDNRIKQAVVVPKYQGTKVQQLVAFVVLENKTKQPDFQLTKSIKEQLLEVVMDYMIPQKFHYVDLLPQTVNGKIDRKKLTAEVNPE
Inhibitor
Name:
BDBM392802
Synonyms:
7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide methanesulfonic acid salt | US10301305, Example 236
Type:
Small organic molecule
Emp. Form.:
C27H32N6O2
Mol. Mass.:
472.582
SMILES:
CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O |r|