| 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 | BDBM13469 |
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| Substrate/Competitor | BDBM13466 |
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| Meas. Tech. | Phosphatase Inhibition Assay |
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| pH | 7±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 1.7±n/a nM |
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| Citation |  Ala, PJ; Gonneville, L; Hillman, M; Becker-Pasha, M; Yue, EW; Douty, B; Wayland, B; Polam, P; Crawley, ML; McLaughlin, E; Sparks, RB; Glass, B; Takvorian, A; Combs, AP; Burn, TC; Hollis, GF; Wynn, R Structural insights into the design of nonpeptidic isothiazolidinone-containing inhibitors of protein-tyrosine phosphatase 1B. J Biol Chem281:38013-21 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, 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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| BDBM13469 |
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| BDBM13466 |
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| Name | BDBM13469 |
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| Synonyms: | ({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(phosphono)methyl]phenyl}acetamido)-3-phenylpropanamido]ethyl]phenyl}difluoromethyl)phosphonic acid | Difluoromethylphosphonic acid (DFMP) deriv. 1 | [[4-[[(1S)-1-[[(1S)-1-aminocarbonyl-2-[4-(difluoro-phosphono-methyl)phenyl]ethyl]carbamoyl]-2-phenyl-ethyl]carbamoylmethyl]phenyl]-difluoro-methyl]phosphonic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C28H29F4N3O9P2 |
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| Mol. Mass. | 689.4857 |
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| SMILES | NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| |
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| Structure | 
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