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Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM70614
Substrate
n/a
IC50
15100±n/a nM
Citation
 PubChem, PC Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2 PubChem Bioassay (2012)[AID] 
Target
Name:
Probable nicotinate-nucleotide adenylyltransferase
Synonyms:
NADD_STAAN | hypothetical protein SA1422 | nadD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
22100.53
Organism:
Staphylococcus aureus subsp. aureus N315
Description:
gi_15927174
Residue:
189
Sequence:
MKKIVLYGGQFNPIHTAHMIVASEVFHELQPDEFYFLPSFMSPLKKHNNFIDVQHRLTMIQMIIDELGFGDICDDEIKRGGQSYTYDTIKAFKEQHKDSELYFVIGTDQYNQLEKWYQIEYLKEMVTFVVVNRDKNSQNVENAMIAIQIPRVDISSTMIRQRVSEGKSIQVLVPKSVENYIKGEGLYEH
  
Inhibitor
Name:
BDBM70614
Synonyms:
2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one | 2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one | 2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-hydroxyphenyl)methyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one | 2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-2-pyrazolin-3-one | MLS000539675 | SMR000161977 | cid_3252210
Type:
Small organic molecule
Emp. Form.:
C31H32N4O3
Mol. Mass.:
508.6108
SMILES:
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
Structure:
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