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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318653
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
Ki
1.8e+4± 4e+3 nM
IC50
3.6e+4±n/a nM
Citation
 Sorci, L; Pan, Y; Eyobo, Y; Rodionova, I; Huang, N; Kurnasov, O; Zhong, S; MacKerell, AD; Zhang, H; Osterman, AL Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD. Chem Biol 16:849-61 (2009) [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:
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:
Search PDB for entries with ligand similarity: