| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidyl-prolyl cis-trans isomerase FKBP5 |
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| Ligand | BDBM50575667 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2125785 (CHEMBL4835130) |
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| Kd | 6.9±n/a nM |
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| Citation |  Bauder, M; Meyners, C; Purder, PL; Merz, S; Sugiarto, WO; Voll, AM; Heymann, T; Hausch, F Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J Med Chem64:3320-3349 (2021) [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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| BDBM50575667 |
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| n/a |
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| Name | BDBM50575667 |
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| Synonyms: | CHEMBL4871144 |
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| Type | Small organic molecule |
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| Emp. Form. | C43H55NO11 |
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| Mol. Mass. | 761.8969 |
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| SMILES | COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OC[C@@H](O)[C@H](O)COc4cccc2c4)c3)cc1OC |r| |
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| Structure | 
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