Reaction Details
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Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM52889
Substrate
n/a
IC50
14200±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:
BDBM52889
Synonyms:
4-(7-hydrocinnamoyloxy-6,8-diketo-7-methyl-isochromen-3-yl)butyric acid methyl ester | 4-[7-methyl-6,8-dioxo-7-(1-oxo-3-phenylpropoxy)-2-benzopyran-3-yl]butanoic acid methyl ester | CMLD004864 | MLS000438876 | SMR000452596 | cid_16745663 | methyl 4-[7-methyl-6,8-bis(oxidanylidene)-7-(3-phenylpropanoyloxy)isochromen-3-yl]butanoate | methyl 4-[7-methyl-6,8-dioxo-7-(3-phenylpropanoyloxy)isochromen-3-yl]butanoate
Type:
Small organic molecule
Emp. Form.:
C24H24O7
Mol. Mass.:
424.4432
SMILES:
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|
Structure:
