| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidyl-prolyl cis-trans isomerase FKBP5 |
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| Ligand | BDBM50519829 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1878502 (CHEMBL4379896) |
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| Ki | 2400±n/a nM |
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| Citation |  Feng, X; Sippel, C; Knaup, FH; Bracher, A; Staibano, S; Romano, MF; Hausch, F A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands. J Med Chem63:231-240 (2020) [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 |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 51207.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_952910 |
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| Residue: | 457 |
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| Sequence: | MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGK
LSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLP
KIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRM
FDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAE
LIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEM
EYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEA
QLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQD
AKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
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| BDBM50519829 |
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| n/a |
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| Name | BDBM50519829 |
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| Synonyms: | CHEMBL4544909 |
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| Type | Small organic molecule |
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| Emp. Form. | C36H45NO8 |
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| Mol. Mass. | 619.7444 |
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| SMILES | [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:11| |
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| Structure | 
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