Reaction Details Report a problem with these data
Target
Nicotinate-nucleotide adenylyltransferase
Ligand
BDBM81361
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
>200000±n/a nM
Comments
extracted
Citation
 Mackerell, Jr., A; Zhang, H; Osterman, A; Kolhatkar, R Targeting NAD biosynthesis in bacterial pathogens US Patent  US8785499 Publication Date 7/22/2014 
Target
Name:
Nicotinate-nucleotide adenylyltransferase
Synonyms:
Deamido-NAD(+) pyrophosphorylase | NADD_ECOLI | Nicotinate mononucleotide adenylyltransferase (NadD) | Nicotinate-nucleotide adenylyltransferase (NadD) | nadD | ybeN
Type:
Enzyme
Mol. Mass.:
24523.61
Organism:
Escherichia coli
Description:
P0A752
Residue:
213
Sequence:
MKSLQALFGGTFDPVHYGHLKPVETLANLIGLTRVTIIPNNVPPHRPQPEANSVQRKHMLELAIADKPLFTLDERELKRNAPSYTAQTLKEWRQEQGPDVPLAFIIGQDSLLTFPTWYEYETILDNAHLIVCRRPGYPLEMAQPQYQQWLEDHLTHNPEDLHLQPAGKIYLAETPWFNISATIIRERLQNGESCEDLLPEPVLTYINQQGLYR
  
Inhibitor
Name:
BDBM81361
Synonyms:
NadD inhibitor 3_23 | US8785499, 3_23
Type:
Small organic molecule
Emp. Form.:
C20H12ClF2N3OS
Mol. Mass.:
415.844
SMILES:
Nc1c(sc2nc(ccc12)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl
Structure:
Search PDB for entries with ligand similarity: