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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318656
Substrate
n/a
Meas. Tech.
ChEMBL_633236 (CHEMBL1119563)
IC50
122000±n/a nM
Citation
 Huang, N; Kolhatkar, R; Eyobo, Y; Sorci, L; Rodionova, I; Osterman, AL; Mackerell, AD; Zhang, H Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement. J Med Chem 53:5229-39 (2010) [PubMed]  Article 
Target
Name:
Probable nicotinate-nucleotide adenylyltransferase
Synonyms:
BAMEG_4595 | Deamido-NAD(+) diphosphorylase | Deamido-NAD(+) pyrophosphorylase | NADD_BACAC | Nicotinate mononucleotide adenylyltransferase | Nicotinate-nucleotide adenylyltransferase | Nicotinate-nucleotide adenylyltransferase (NadD) | Nicotinic acid mononucleotide adenylyltransferase (NaMNAT) | nadD
Type:
Enzyme
Mol. Mass.:
21955.08
Organism:
Bacillus anthracis
Description:
C3L5T6
Residue:
189
Sequence:
MRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPHKQGRNITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVEIPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYES
  
Inhibitor
Name:
BDBM50318656
Synonyms:
(E)-N-(4-bromophenyl)-4-(2-(4-fluorobenzylidene)hydrazinyl)-4-oxobutanamide | CHEMBL1083060
Type:
Small organic molecule
Emp. Form.:
C17H15BrFN3O2
Mol. Mass.:
392.222
SMILES:
Fc1ccc(\C=N\NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
Structure:
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