Reaction Details Report a problem with these data
Target
TYR_PHOSPHATASE_2 domain-containing protein
Ligand
BDBM50464771
Substrate
n/a
Meas. Tech.
ChEMBL_1782409 (CHEMBL4253926)
Ki
390±n/a nM
Citation
Mascarello, A; Orbem Menegatti, AC; Calcaterra, A; Martins, PGA; Chiaradia-Delatorre, LD; D'Acquarica, I; Ferrari, F; Pau, V; Sanna, A; De Logu, A; Botta, M; Botta, B; Terenzi, H; Mori, M Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B. Eur J Med Chem 144:277-288 (2018) [PubMed] Article
More Info.:
Target
Name:
TYR_PHOSPHATASE_2 domain-containing protein
Synonyms:
(PROTEIN-TYROSINE-PHOSPHATASE) (PTPase) | MPtpB | PHOSPHOTYROSINE PROTEIN PHOSPHATASE PTPB | Phosphotyrosine protein phosphatase | Phosphotyrosine-protein phosphatase PTPB | Protein Tyrosine Phosphatase PTPB
Type:
Hydrolase
Mol. Mass.:
30152.45
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
276
Sequence:
MAVRELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTNDGSNGESGESSQSINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG
Inhibitor
Name:
BDBM50464771
Synonyms:
CHEMBL4279417
Type:
Small organic molecule
Emp. Form.:
C40H36O11
Mol. Mass.:
692.7072
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11|