Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223172
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
300±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:
BDBM223172
Synonyms:
N-(trans-4-(butylcarbamoyl)cyclohexyl)-4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2b]pyrrole-5-carboxamide (34)
Type:
Small organic molecule
Emp. Form.:
C29H38N4O3S
Mol. Mass.:
522.702
SMILES:
CCCCNC(=O)C1CCC(CC1)NC(=O)c1cc2sccc2n1CC(=O)N(CC)c1cccc(C)c1 |(67.87,-31.59,;67.55,-30.09,;66.09,-29.61,;65.77,-28.1,;64.3,-27.63,;63.98,-26.12,;65.13,-25.09,;62.52,-25.65,;61.37,-26.68,;59.91,-26.2,;59.59,-24.69,;60.73,-23.66,;62.2,-24.14,;58.13,-24.22,;56.98,-25.25,;57.3,-26.75,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;54.27,-25.68,;54.27,-27.22,;52.94,-27.99,;51.6,-27.22,;52.94,-29.53,;54.27,-30.3,;54.27,-31.84,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-31.84,)|
Structure:
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