Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223171
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
5.4±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:
BDBM223171
Synonyms:
Methyl trans-4-(1-(2-(ethyl(3-ethylphenyl)amino)-2-oxoethyl)-1H-indole-2carboxamido)cyclohexane-1-carboxylate (33)
Type:
Small organic molecule
Emp. Form.:
C29H35N3O4
Mol. Mass.:
489.6059
SMILES:
CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1 |r,wU:21.26,wD:18.19,(9.46,-10.29,;8.99,-11.75,;10.02,-12.9,;9.54,-14.36,;8.04,-14.68,;10.57,-15.5,;10.1,-16.97,;11,-18.22,;10.1,-19.46,;8.63,-18.99,;7.3,-19.76,;5.96,-18.99,;5.96,-17.45,;7.3,-16.68,;8.63,-17.45,;12.54,-18.22,;13.31,-16.88,;13.31,-19.55,;14.85,-19.55,;15.62,-20.88,;17.16,-20.88,;17.93,-19.55,;17.16,-18.22,;15.62,-18.22,;19.47,-19.55,;20.24,-18.22,;20.24,-20.88,;21.78,-20.88,;11.52,-12.58,;12.55,-13.72,;14.06,-13.4,;14.54,-11.93,;13.51,-10.79,;13.98,-9.33,;15.49,-9.01,;12,-11.11,)|
Structure:
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