Reaction Details |
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Target | Peptidyl-prolyl cis-trans isomerase FKBP5 |
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Ligand | BDBM50575672 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2125778 (CHEMBL4835123) |
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Kd | 8.0±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 |
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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BDBM50575672 |
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n/a |
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Name | BDBM50575672 |
Synonyms: | CHEMBL4858532 |
Type | Small organic molecule |
Emp. Form. | C44H55NO10 |
Mol. Mass. | 757.9082 |
SMILES | COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(OCCC(=O)CCOc4cccc2c4)c3)cc1OC |r| |
Structure |
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