Reaction Details
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Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM95154
Substrate
n/a
IC50
13800±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:
BDBM95154
Synonyms:
3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one | 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one | 3-[[(3-fluorobenzyl)thio]methyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one | 3-[[(3-fluorophenyl)methylthio]methyl]-7-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one | MLS001031280 | SMR000634631 | cid_20967285
Type:
Small organic molecule
Emp. Form.:
C29H31FN4O2S
Mol. Mass.:
518.645
SMILES:
CC1CN(CCN1c1cccc(C)c1)C(=O)c1ccc2NC(CSCc3cccc(F)c3)C(=O)Nc2c1
Structure:
