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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318653
Substrate
n/a
Meas. Tech.
ChEMBL_633234 (CHEMBL1119441)
Ki
32000±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:
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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