| Reaction Details |
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 | Report a problem with these data |
| Target | Probable nicotinate-nucleotide adenylyltransferase |
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| Ligand | BDBM52889 |
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| Substrate/Competitor | n/a |
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| IC50 | 14200±n/a nM |
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| Citation |  PubChem, PC Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2 PubChem Bioassay(2012)[AID] |
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| More Info.: | Get all data from this article |
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| Probable nicotinate-nucleotide adenylyltransferase |
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| Name: | Probable nicotinate-nucleotide adenylyltransferase |
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| Synonyms: | NADD_STAAN | hypothetical protein SA1422 | nadD |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 22100.53 |
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| Organism: | Staphylococcus aureus subsp. aureus N315 |
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| Description: | gi_15927174 |
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| Residue: | 189 |
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| Sequence: | MKKIVLYGGQFNPIHTAHMIVASEVFHELQPDEFYFLPSFMSPLKKHNNFIDVQHRLTMI
QMIIDELGFGDICDDEIKRGGQSYTYDTIKAFKEQHKDSELYFVIGTDQYNQLEKWYQIE
YLKEMVTFVVVNRDKNSQNVENAMIAIQIPRVDISSTMIRQRVSEGKSIQVLVPKSVENY
IKGEGLYEH
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| BDBM52889 |
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| n/a |
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| Name | BDBM52889 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H24O7 |
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| Mol. Mass. | 424.4432 |
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| SMILES | COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9| |
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| Structure | 
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