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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM50318652
Substrate
n/a
Meas. Tech.
ChEMBL_633234 (CHEMBL1119441)
Ki
10000±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:
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: