Reaction Details Report a problem with these data
Target
Nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318653
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
65000±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:
BDBM50318653
Synonyms:
3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide | 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide | CHEMBL1084955 | NadD inhibitor 3_02 | US8785499, 3_02
Type:
Small organic molecule
Emp. Form.:
C18H12FN3OS2
Mol. Mass.:
369.436
SMILES:
Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Structure:
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