Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223169
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
590±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:
BDBM223169
Synonyms:
Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
Type:
Small organic molecule
Emp. Form.:
C26H31N3O5
Mol. Mass.:
465.5414
SMILES:
CCN(C(=O)Cn1c(cc2occc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:20.25,wD:17.18,(9.32,-10.12,;8.84,-11.58,;9.87,-12.73,;9.4,-14.19,;7.89,-14.51,;10.43,-15.34,;9.95,-16.8,;10.86,-18.05,;9.95,-19.29,;8.49,-18.82,;7.02,-19.29,;6.12,-18.05,;7.02,-16.8,;8.49,-17.28,;12.4,-18.05,;13.17,-16.71,;13.17,-19.38,;14.71,-19.38,;15.48,-20.71,;17.02,-20.71,;17.79,-19.38,;17.02,-18.05,;15.48,-18.05,;19.33,-19.38,;20.1,-18.05,;20.1,-20.71,;21.64,-20.71,;11.38,-12.41,;12.41,-13.55,;13.91,-13.23,;14.39,-11.77,;13.36,-10.62,;13.84,-9.16,;11.85,-10.94,)|
Structure:
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