Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223155
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
2500±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:
BDBM223155
Synonyms:
Methyl-trans-4-(4-(2-(hexyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (17)
Type:
Small organic molecule
Emp. Form.:
C30H39N3O4S
Mol. Mass.:
537.713
SMILES:
CCCCCCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1 |r,wU:21.22,wD:24.29,(23.17,-18.75,;21.84,-19.52,;20.5,-18.75,;19.17,-19.52,;17.84,-18.75,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;12.5,-18.75,;11.17,-19.52,;11.17,-21.06,;12.5,-21.83,;12.5,-23.37,;13.84,-21.06,)|
Structure:
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