Reaction Details Report a problem with these data
Target
Luciferin 4-monooxygenase
Ligand
BDBM50366944
Substrate
n/a
Meas. Tech.
ChEMBL_476207 (CHEMBL923738)
IC50
6900±n/a nM
Citation
Auld, DS; Southall, NT; Jadhav, A; Johnson, RL; Diller, DJ; Simeonov, A; Austin, CP; Inglese, J Characterization of chemical libraries for luciferase inhibitory activity. J Med Chem 51:2372-86 (2008) [PubMed] Article
More Info.:
Target
Name:
Luciferin 4-monooxygenase
Synonyms:
LUCI_PHOPY | Luciferase
Type:
PROTEIN
Mol. Mass.:
60747.46
Organism:
Photinus pyralis
Description:
ChEMBL_938513
Residue:
550
Sequence:
MEDAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMSVRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNISQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYDFVPESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPGAVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHSGDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGELPAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILIKAKKGGKSKL
Inhibitor
Name:
BDBM50366944
Synonyms:
Azovan Blue | Azovan sodium | EVANS BLUE
Type:
Small organic molecule
Emp. Form.:
C34H24N6O14S4
Mol. Mass.:
868.848
SMILES:
Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7|