Reaction Details Report a problem with these data
Target
Luciferin 4-monooxygenase
Ligand
BDBM50293120
Substrate
n/a
Meas. Tech.
ChEMBL_514919 (CHEMBL972645)
IC50
3800±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:
BDBM50293120
Synonyms:
2-(3,4-Dimethoxyphenyl)-6-methoxybenzo[d]thiazole | CHEMBL460500
Type:
Small organic molecule
Emp. Form.:
C16H15NO3S
Mol. Mass.:
301.36
SMILES:
COc1ccc2nc(sc2c1)-c1ccc(OC)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: