Reaction Details Report a problem with these data
Target
Nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318652
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
15000±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:
BDBM50318652
Synonyms:
(E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3-chlorophenyl)-4-oxobutanamide | 4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide | CHEMBL1084866 | NadD inhibitor 1_02 | US8785499, 1_02
Type:
Small organic molecule
Emp. Form.:
C25H20ClN3O2
Mol. Mass.:
429.898
SMILES:
Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Structure:
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