Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223166
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
7700±n/a nM
Citation
 Walker, JR; Hall, MP; Zimprich, CA; Robers, MB; Duellman, SJ; Machleidt, T; Rodriguez, J; Zhou, W Highly Potent Cell-Permeable and Impermeable NanoLuc Luciferase Inhibitors. ACS Chem Biol 12:1028-1037 (2017) [PubMed]  Article 
Target
Name:
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Synonyms:
19kOLase (EC:1.13.12.13) | LUCI_OPLGR | NanoLuc luciferase (Nluc)
Type:
Enzyme
Mol. Mass.:
21528.45
Organism:
Oplophorus gracilirostris (Luminous shrimp)
Description:
Q9GV45
Residue:
196
Sequence:
MAYSTLFIIALTAVVTQASSTQKSNLTFTLADFVGDWQQTAGYNQDQVLEQGGLSSLFQALGVSVTPIQKVVLSGENGLKADIHVIIPYEGLSGFQMGLIEMIFKVVYPVDDHHFKIILHYGTLVIDGVTPNMIDYFGRPYPGIAVFDGKQITVTGTLWNGNKIYDERLINPDGSLLFRVTINGVTGWRLCENILA
  
Inhibitor
Name:
BDBM223166
Synonyms:
Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-1H-pyrrole-2carboxamido)cyclohexane-1-carboxylate (28)
Type:
Small organic molecule
Emp. Form.:
C24H31N3O4
Mol. Mass.:
425.5206
SMILES:
CCN(C(=O)Cn1cccc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:14.14,wD:17.21,(19.12,-19.17,;17.79,-19.94,;16.45,-19.17,;15.12,-19.94,;15.12,-21.48,;13.79,-19.17,;12.45,-19.94,;12.29,-21.47,;10.78,-21.79,;10.01,-20.46,;11.04,-19.32,;10.72,-17.81,;9.26,-17.33,;11.87,-16.78,;11.47,-15.29,;9.98,-14.89,;9.58,-13.41,;10.67,-12.32,;12.16,-12.71,;12.56,-14.2,;10.27,-10.83,;8.79,-10.43,;11.36,-9.74,;10.97,-8.25,;16.45,-17.63,;15.12,-16.86,;15.12,-15.32,;16.45,-14.55,;17.79,-15.32,;19.12,-14.55,;17.79,-16.86,)|
Structure:
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