Reaction Details
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Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM95096
Substrate
n/a
IC50
17500±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:
BDBM95096
Synonyms:
5-bromanyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide | 5-bromo-N-[2-(3-methylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-furamide | 5-bromo-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-furancarboxamide | 5-bromo-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide | 5-bromo-N-[2-(m-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-furamide | MLS000087837 | SMR000024157 | cid_3235687
Type:
Small organic molecule
Emp. Form.:
C17H14BrN3O2S
Mol. Mass.:
404.281
SMILES:
Cc1cccc(c1)-n1nc2CSCc2c1NC(=O)c1ccc(Br)o1
Structure:
