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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318662
Substrate
n/a
Meas. Tech.
ChEMBL_633236 (CHEMBL1119563)
IC50
>200000±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:
BDBM50318662
Synonyms:
CHEMBL1084868 | [(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid | {N-[3-(2-Chloro-phenylcarbamoyl)-propionyl]-N'-naphthalen-1-ylmethylene-hydrazino}-aceticAcid
Type:
Small organic molecule
Emp. Form.:
C23H20ClN3O4
Mol. Mass.:
437.876
SMILES:
OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: