Reaction Details |
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Target | Tyrosine-protein phosphatase non-receptor type 1 |
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Ligand | BDBM50113299 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_162252 (CHEMBL770119) |
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IC50 | 4100±n/a nM |
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Citation | Doman, TN; McGovern, SL; Witherbee, BJ; Kasten, TP; Kurumbail, R; Stallings, WC; Connolly, DT; Shoichet, BK Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem45:2213-21 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Tyrosine-protein phosphatase non-receptor type 1 |
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Name: | Tyrosine-protein phosphatase non-receptor type 1 |
Synonyms: | PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B | 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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BDBM50113299 |
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n/a |
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Name | BDBM50113299 |
Synonyms: | 5-[3-Nitro-4-(6-nitro-benzothiazol-2-ylsulfanyl)-benzylidene]-pyrimidine-2,4,6-trione | CHEMBL302323 |
Type | Small 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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