Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223168
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
3400±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:
BDBM223168
Synonyms:
Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-6-methoxy-1H-indole-2carboxamido)cyclohexane-1-carboxylate (30)
Type:
Small organic molecule
Emp. Form.:
C29H35N3O5
Mol. Mass.:
505.6053
SMILES:
CCN(C(=O)Cn1c(cc2ccc(OC)cc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:23.28,wD:20.21,(10.79,-10.12,;10.31,-11.58,;11.34,-12.73,;10.87,-14.19,;9.36,-14.51,;11.9,-15.34,;11.42,-16.8,;12.33,-18.05,;11.42,-19.29,;9.96,-18.82,;8.63,-19.59,;7.29,-18.82,;7.29,-17.28,;5.96,-16.51,;4.62,-17.28,;8.63,-16.51,;9.96,-17.28,;13.87,-18.05,;14.64,-16.71,;14.64,-19.38,;16.18,-19.38,;16.95,-20.71,;18.49,-20.71,;19.26,-19.38,;18.49,-18.05,;16.95,-18.05,;20.8,-19.38,;21.57,-18.05,;21.57,-20.71,;23.11,-20.71,;12.85,-12.41,;13.88,-13.55,;15.39,-13.23,;15.86,-11.77,;14.83,-10.62,;15.31,-9.16,;13.33,-10.94,)|
Structure:
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