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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peptidyl-prolyl cis-trans isomerase A | ||
| Ligand | BDBM50339127 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_887349 (CHEMBL2216958) | ||
| Kd | 11±n/a nM | ||
| Citation |  Landrieu, I; Hanoulle, X; Fritzinger, B; Horvath, D; Wieruszeski, JM; Lippens, G Ranking high affinity ligands of low solubility by NMR spectroscopy. ACS Med Chem Lett2:485-487 (2011) [PubMed] Article | ||
| 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: |
| ||
| BDBM50339127 | |||
| n/a | |||
| Name | BDBM50339127 | ||
| Synonyms: | (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL1651956 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C63H113N11O12 | ||
| Mol. Mass. | 1216.6378 | ||
| SMILES | CC[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](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| | ||
| Structure | 
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