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TargetProtein-tyrosine phosphatase 1B
LigandBDBM50113299
Substrate/Competitorn/a
Meas. Tech.ChEMBL_162252
IC50 4100±n/a nM
Citation Doman TNMcGovern SLWitherbee BJKasten TPKurumbail RStallings WCConnolly DTShoichet BK Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem 45:2213-21 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Protein-tyrosine phosphatase 1B
Name:Protein-tyrosine phosphatase 1B
Synonyms:PTP1B | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B)
Type:Protein phosphatase
Mol. Mass.:49963.76
Organism:Homo sapiens (Human)
Description:Human recombinant GST-fusion PTP1B (1-435).
Residue:435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLH
QEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLK
CAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWP
DFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKD
PSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLE
PPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYG
IESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLT
AGAYLCYRFLFNSNT
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  Blast E-value cutoff:
BDBM50113299
n/a
NameBDBM50113299
Synonyms:5-[3-Nitro-4-(6-nitro-benzothiazol-2-ylsulfanyl)-benzylidene]-pyrimidine-2,4,6-trione | CHEMBL302323
TypeSmall organic molecule
Emp. Form.C18H9N5O7S2
Mol. Mass.471.423
SMILES[#8-]-[#7+](=O)-c1ccc2nc(-[#16]-c3ccc(\[#6]=[#6]-4/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-4=O)cc3-[#7+](-[#8-])=O)sc2c1
Structure
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