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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318661
Substrate
n/a
Meas. Tech.
ChEMBL_633236 (CHEMBL1119563)
IC50
13000±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:
BDBM50318661
Synonyms:
CHEMBL1084867 | N-(2-Chloro-phenyl)-3-(4-{[3-(2-chloro-phenylcarbamoyl)-propionyl]-hydrazonomethyl}-benzylidene-hydrazinocarbonyl)-propionamide
Type:
Small organic molecule
Emp. Form.:
C28H26Cl2N6O4
Mol. Mass.:
581.45
SMILES:
Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 |w:21.21,15.15|
Structure:
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