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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peptidyl-prolyl cis-trans isomerase FKBP1A | ||
| Ligand | BDBM257513 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | PPlase Assay | ||
| Ki | 7.9±0.69 nM | ||
| Citation |  Gregory, MA; Kendrew, SG; Moss, SJ; Wilkinson, B Rapamycin analogues and their pharmaceutical use US Patent US9505773 Publication Date 11/29/2016 | ||
| 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: |
| ||
| BDBM257513 | |||
| n/a | |||
| Name | BDBM257513 | ||
| Synonyms: | US9505773, 5 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C46H71NO10 | ||
| Mol. Mass. | 798.0566 | ||
| SMILES | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:21.22,7.7,9.9,53.56,30.32,35.37,wD:4.11,38.40,50.52,47.50,2.1,c:29,t:42,44,46,(-3.31,-9.4,;-1.96,-8.65,;-1.94,-7.11,;-3.33,-7.67,;-4.67,-6.9,;-6,-7.67,;-7.34,-6.9,;-7.34,-5.36,;-8.67,-4.59,;-6,-4.59,;-7.34,-3.82,;-4.67,-5.36,;-6,-3.05,;-7.34,-2.28,;-4.67,-2.28,;-3.33,-3.05,;-4.67,-.74,;-6,.03,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-2,-2.28,;-.67,.03,;-.67,1.57,;3.33,1.93,;4.67,1.15,;4.67,-.38,;3.33,-1.15,;6,-1.15,;7.34,-.38,;6,-2.69,;7.34,-3.47,;8.67,-2.69,;7.34,-5,;6,-5.78,;8.11,-6.34,;7.34,-7.67,;8.11,-9.01,;6,-6.9,;4.67,-7.67,;3.33,-6.9,;2,-7.67,;.67,-6.9,;-.67,-7.67,;-.67,-9.21,;-2,2.34,;-3.33,3.11,;-2,3.88,;-1.23,5.21,;.31,5.21,;1.08,6.54,;.31,7.88,;1.08,9.21,;-1.23,7.88,;-2,6.54,)| | ||
| Structure | 
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