Target
Luciferin 4-monooxygenase
Ligand
BDBM50238221
Substrate
n/a
Meas. Tech.
ChEMBL_514924 (CHEMBL972650)
IC50
>10000±n/a nM
Citation
 Auld, DSZhang, YQSouthall, NTRai, GLandsman, MMacLure, JLangevin, DThomas, CJAustin, CPInglese, 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:
BDBM50238221
Synonyms:
(4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinolin-4-yl)methanone | CHEMBL411085
Type:
Small organic molecule
Emp. Form.:
C25H23N5O
Mol. Mass.:
409.483
SMILES:
Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: