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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peptidyl-prolyl cis-trans isomerase A | ||
| Ligand | BDBM50033061 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_51870 (CHEMBL665881) | ||
| IC50 | 93±n/a nM | ||
| Citation |  Mikol, V; Papageorgiou, C; Borer, X The role of water molecules in the structure-based design of (5-hydroxynorvaline)-2-cyclosporin: synthesis, biological activity, and crystallographic analysis with cyclophilin A. J Med Chem38:3361-7 (1995) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Peptidyl-prolyl cis-trans isomerase A | |||
| Name: | Peptidyl-prolyl cis-trans isomerase A | ||
| Synonyms: | CYPA | CYPA PPIase | Cyclophilin A | Cyclosporin A-binding protein | PPIA | PPIA_HUMAN | PPIase A | Peptidyl-prolyl cis-trans isomerase A | Rotamase A | ||
| Type: | Protein | ||
| Mol. Mass.: | 18015.32 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P62937 | ||
| Residue: | 165 | ||
| Sequence: |
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| BDBM50033061 | |||
| n/a | |||
| Name | BDBM50033061 | ||
| Synonyms: | 27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-30-propyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL384726 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C64H115N11O13 | ||
| Mol. Mass. | 1246.6638 | ||
| SMILES | CCC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C | ||
| Structure | 
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