| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein phosphatase non-receptor type 1 [1-298] |
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| Ligand | BDBM13953 |
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| Substrate/Competitor | BDBM13466 |
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| Meas. Tech. | PTP1B and TCPTP Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| Ki | 1100±500 nM |
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| Citation |  Szczepankiewicz, BG; Liu, G; Hajduk, PJ; Abad-Zapatero, C; Pei, Z; Xin, Z; Lubben, TH; Trevillyan, JM; Stashko, MA; Ballaron, SJ; Liang, H; Huang, F; Hutchins, CW; Fesik, SW; Jirousek, MR Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy. J Am Chem Soc125:4087-96 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Tyrosine-protein phosphatase non-receptor type 1 [1-298] |
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| Name: | Tyrosine-protein phosphatase non-receptor type 1 [1-298] |
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| Synonyms: | PTN1_HUMAN | PTP-1B | PTP1B | PTPN1 | PTPase 1B | Protein-Tyrosine Phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase, non-receptor type 1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 34670.65 |
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| Organism: | Homo sapiens (Human) |
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| Description: | The catalytic domain of PTP 1B (residues 1-298) was expressed and purified from E. coli. |
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| Residue: | 298 |
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| Sequence: | MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLH
QEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLK
CAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWP
DFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKD
PSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
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| BDBM13953 |
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| BDBM13466 |
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| Name | BDBM13953 |
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| Synonyms: | 1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]naphthalen-1-yl}amidoformic acid)benzoic acid | 2-{[4-(2-Acetylamino-2-pentylcarbamoylethyl)naphthalen-1-yl]oxalylamino}benzoic Acid | CHEMBL303333 | N-Acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-N-pentyl-1-naphthylalaninamide | Oxalylarylaminobenzoic Acid Analog 12a | linked-fragment derived compound 12 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31N3O7 |
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| Mol. Mass. | 533.5723 |
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| SMILES | CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)NC(C)=O |
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| Structure | 
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