Reaction Details
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Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM83188
Substrate
n/a
IC50
14600±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:
BDBM83188
Synonyms:
(3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester | (3Z)-3-(2-furfurylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester | MLS002634202 | SMR001544479 | [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | cid_44825357
Type:
Small organic molecule
Emp. Form.:
C27H28N2O4
Mol. Mass.:
444.5222
SMILES:
CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Structure:
