Reaction Details |
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Target | Peptidyl-prolyl cis-trans isomerase FKBP5 |
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Ligand | BDBM50030448 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1570260 (CHEMBL3795202) |
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Ki | 79±n/a nM |
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Citation | Gaali, S; Feng, X; Hähle, A; Sippel, C; Bracher, A; Hausch, F Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J Med Chem59:2410-22 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Peptidyl-prolyl cis-trans isomerase FKBP5 |
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Name: | Peptidyl-prolyl cis-trans isomerase FKBP5 |
Synonyms: | 51 kDa FK506-binding protein | 51 kDa FKBP | 54 kDa progesterone receptor-associated immunophilin | AIG6 | Androgen-regulated protein 6 | FF1 antigen | FK506-binding protein 5 | FKBP-5 | FKBP-51 | FKBP5 | FKBP51 | FKBP54 | FKBP5_HUMAN | HSP90-binding immunophilin | PPIase FKBP5 | Rotamase | p54 |
Type: | PROTEIN |
Mol. Mass.: | 51207.06 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_952910 |
Residue: | 457 |
Sequence: | MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGK
LSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLP
KIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRM
FDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAE
LIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEM
EYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEA
QLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQD
AKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
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BDBM50030448 |
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n/a |
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Name | BDBM50030448 |
Synonyms: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 | TACROLIMUS |
Type | Small organic molecule |
Emp. Form. | C44H69NO12 |
Mol. Mass. | 804.0182 |
SMILES | CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45| |
Structure |
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