Reaction Details Report a problem with these data
Target
Oplophorus-luciferin 2-monooxygenase catalytic subunit
Ligand
BDBM223184
Substrate
n/a
Meas. Tech.
NanoLuc Inhibition Assay
IC50
66±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:
BDBM223184
Synonyms:
(11S,14S,17S)-17-Acetamido-11,14-bis(carboxymethyl)-1-(trans-4-(4-(2-(ethyl(m-tolyl)amino)2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamido)cyclohexyl)-1,10,13,16-tetraoxo-2,9,12,15tetraazanonadecan-19-oic acid (46) | BDBM 223184
Type:
Small organic molecule
Emp. Form.:
C45H60N8O13S
Mol. Mass.:
953.069
SMILES:
CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)c1cccc(C)c1 |r,wU:43.50,20.25,wD:35.42,17.18,51.58,(35.76,-7.61,;36.96,-8.58,;36.64,-10.09,;37.78,-11.12,;39.24,-10.64,;37.46,-12.62,;38.6,-13.66,;38.44,-15.19,;39.85,-15.81,;40.88,-14.67,;42.39,-14.35,;42.55,-12.82,;41.14,-12.19,;40.11,-13.33,;37.11,-15.96,;37.11,-17.5,;35.78,-15.19,;34.44,-15.96,;33.11,-15.19,;31.77,-15.96,;31.77,-17.5,;33.11,-18.27,;34.44,-17.5,;30.44,-18.27,;30.44,-19.81,;29.11,-17.5,;27.77,-18.27,;26.44,-17.5,;25.11,-18.27,;23.77,-17.5,;22.44,-18.27,;21.11,-17.5,;19.77,-18.27,;18.44,-17.5,;18.44,-15.96,;17.1,-18.27,;17.1,-19.81,;18.44,-20.58,;19.77,-19.81,;18.44,-22.12,;15.77,-17.5,;14.44,-18.27,;14.44,-19.81,;13.1,-17.5,;13.1,-15.96,;14.44,-15.19,;15.77,-15.96,;14.44,-13.65,;11.77,-18.27,;10.44,-17.5,;10.44,-15.96,;9.1,-18.27,;9.1,-19.81,;10.44,-20.58,;11.77,-19.81,;10.44,-22.12,;7.77,-17.5,;6.43,-18.27,;5.1,-17.5,;6.43,-19.81,;35.17,-10.56,;34.03,-9.53,;32.56,-10.01,;32.24,-11.52,;33.39,-12.55,;33.07,-14.05,;34.85,-12.07,)|
Structure:
Search PDB for entries with ligand similarity: