Reaction Details  Report a problem with these data
Target
Luciferin 4-monooxygenase
Ligand
BDBM50293114
Substrate
n/a
Meas. Tech.
ChEMBL_514919 (CHEMBL972645)
IC50
1900±n/a nM
Citation
 Auld, DS; Zhang, YQ; Southall, NT; Rai, G; Landsman, M; MacLure, J; Langevin, D; Thomas, CJ; Austin, CP; Inglese, J A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. J Med Chem 52:1450-8 (2010) [PubMed]  Article
Target
Name:
Luciferin 4-monooxygenase
Synonyms:
LUCI_PHOPE
Type:
PROTEIN
Mol. Mass.:
60658.88
Organism:
Photuris pennsylvanica
Description:
ChEMBL_514919
Residue:
545
Sequence:
MEDKNILYGPEPFHPLADGTAGEQMFYALSRYADISGCIALTNAHTKENVLYEEFLKLSCRLAESFKKYGLKQNDTIAVCSENGLQFFLPLIASLYLGIIAAPVSDKYIERELIHSLGIVKPRIIFCSKNTFQKVLNVKSKLKYVETIIILDLNEDLGGYQCLNNFISQNSDINLDVKKFKPNSFNRDDQVALVMFSSGTTGVSKGVMLTHKNIVARFSHCKDPTFGNAINPTTAILTVIPFHHGFGMTTTLGYFTCGFRVALMHTFEEKLFLQSLQDYKVESTLLVPTLMAFFPKSALVEKYDLSHLKEIASGGAPLSKEIGEMVKKRFKLNFVRQGYGLTETTSAVLITPDTDVRPGSTGKIVPFHAVKVVDPTTGKILGPNETGELYFKGDMIMKSYYNNEEATKAIINKDGWLRSGDIAYYDNDGHFYIVDRLKSLIKYKGYQVAPAEIEGILLQHPYIVDAGVTGIPDEAAGELPAAGVVVQTGKYLNEQIVQNFVSSQVSTAKWLRGGVKFLDEIPKGSTGKIDRKVLRQMFEKHKSKL
  
Inhibitor
Name:
BDBM50293114
Synonyms:
CHEMBL462620 | N-(3-(6-Methoxybenzo[d]thiazol-2-yl)phenyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C16H14N2O2S
Mol. Mass.:
298.36
SMILES:
COc1ccc2nc(sc2c1)-c1cccc(NC(C)=O)c1
Structure:
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