Reaction Details
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Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM47367
Substrate
n/a
IC50
11200±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] More Info.:
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:
BDBM47367
Synonyms:
(4Z)-2-(3,4-dimethylphenyl)-4-[[2-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)anilino]methylene]isoquinoline-1,3-quinone | (4Z)-2-(3,4-dimethylphenyl)-4-[[2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)anilino]methylidene]isoquinoline-1,3-dione | (4Z)-2-(3,4-dimethylphenyl)-4-[[[2-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl]amino]methylidene]isoquinoline-1,3-dione | MLS000775559 | SMR000370445 | cid_5681750
Type:
Small organic molecule
Emp. Form.:
C27H21N5O3S
Mol. Mass.:
495.552
SMILES:
Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14|
Structure:
