Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223167
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
36±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:
BDBM223167
Synonyms:
Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-1H-indole-2-carboxamido)cyclohexane1-carboxylate (29)
Type:
Small organic molecule
Emp. Form.:
C28H33N3O4
Mol. Mass.:
475.5793
SMILES:
CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:21.26,wD:18.19,(9.46,-10.12,;8.99,-11.58,;10.02,-12.73,;9.54,-14.19,;8.04,-14.51,;10.57,-15.34,;10.1,-16.8,;11,-18.05,;10.1,-19.29,;8.63,-18.82,;7.3,-19.59,;5.96,-18.82,;5.96,-17.28,;7.3,-16.51,;8.63,-17.28,;12.54,-18.05,;13.31,-16.71,;13.31,-19.38,;14.85,-19.38,;15.62,-20.71,;17.16,-20.71,;17.93,-19.38,;17.16,-18.05,;15.62,-18.05,;19.47,-19.38,;20.24,-18.05,;20.24,-20.71,;21.78,-20.71,;11.52,-12.41,;12.55,-13.55,;14.06,-13.23,;14.54,-11.77,;13.51,-10.62,;13.98,-9.16,;12,-10.94,)|
Structure:
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