Reaction Details Report a problem with these data
Target
Probable nicotinate-nucleotide adenylyltransferase
Ligand
BDBM95151
Substrate
n/a
IC50
17300±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] 
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:
BDBM95151
Synonyms:
(8S)-7-[2-(4-chloranylphenoxy)ethanoyl]-3-[3-[[(2Z,4Z)-hexa-2,4-dienoyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide | (8S)-7-[2-(4-chlorophenoxy)-1-oxoethyl]-3-[3-[[(2Z,4Z)-1-oxohexa-2,4-dienyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide | (8S)-7-[2-(4-chlorophenoxy)acetyl]-3-[3-[[(2Z,4Z)-hexa-2,4-dienoyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide | MLS000562037 | SMR000390743 | cid_16745491
Type:
Small organic molecule
Emp. Form.:
C27H27ClN4O5
Mol. Mass.:
522.98
SMILES:
C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:15|
Structure:
Search PDB for entries with ligand similarity: