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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318652
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
Ki
9e+3± 3e+3 nM
IC50
2.5e+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:
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:
Search PDB for entries with ligand similarity: