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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peptidyl-prolyl cis-trans isomerase FKBP1A | ||
| Ligand | BDBM50068939 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_66285 | ||
| EC50 | 1.6±n/a nM | ||
| Citation |  Goulet, MT; McAlpine, SR; Staruch, MJ; Koprak, S; Dumont, FJ; Cryan, JG; Wiederrecht, GJ; Rosa, R; Wilusz, MB; Peterson, LB; Wyvratt, MJ; Parsons, WH C32-O-imidazol-2-yl-methyl ether derivatives of the immunosuppressant ascomycin with improved therapeutic potential. Bioorg Med Chem Lett8:2253-8 (1999) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Peptidyl-prolyl cis-trans isomerase FKBP1A | |||
| Name: | Peptidyl-prolyl cis-trans isomerase FKBP1A | ||
| Synonyms: | 12 kDa FK506-binding protein | 12 kDa FKBP | FK506-binding protein 1A | FK506-binding protein 1A (FKBP12) | FKB1A_HUMAN | FKBP-12 | FKBP-1A | FKBP1 | FKBP12 | FKBP1A | Immunophilin FKBP12 | PPIase | PPIase FKBP1A | Peptidyl-prolyl cis-trans isomerase (FKBP) | Rotamase | RyR1/FKBP12 | mTOR/FKBP12A/FKBP12B | ||
| Type: | Isomerase | ||
| Mol. Mass.: | 11953.09 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P62942 | ||
| Residue: | 108 | ||
| Sequence: |
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| BDBM50068939 | |||
| n/a | |||
| Name | BDBM50068939 | ||
| Synonyms: | (E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-((1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | (E)-(S)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]oct acos-18-ene-2,3,10,16-tetraone | (E)-17-Ethyl-1,14-dihydroxy-12-[(E)-2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | (ascomycin)17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | 17-Ethyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | ASCOMYCIN | C32-O-cinnamyl ether analogue of L-683590 | CHEMBL8597 | L-683590 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C43H69NO12 | ||
| Mol. Mass. | 792.0075 | ||
| SMILES | CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3| | ||
| Structure | 
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