| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidyl-prolyl cis-trans isomerase A |
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| Ligand | BDBM50422041 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_51870 (CHEMBL665881) |
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| IC50 | 310±n/a nM |
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| 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] |
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| More Info.: | Get all data from this article, Assay Method |
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| Peptidyl-prolyl cis-trans isomerase A |
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| Name: | Peptidyl-prolyl cis-trans isomerase A |
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| Synonyms: | CYPA | CYPA PPIase | Cyclophilin A | Cyclosporin A-binding protein | PPIA | PPIA_HUMAN | PPIase A | Peptidyl-prolyl cis-trans isomerase A | Rotamase A |
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| Type: | Protein |
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| Mol. Mass.: | 18015.32 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P62937 |
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| Residue: | 165 |
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| Sequence: | MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGF
MCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTE
WLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
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| BDBM50422041 |
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| n/a |
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| Name | BDBM50422041 |
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| Synonyms: | GECLOSPORIN |
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| Type | Small organic molecule |
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| Emp. Form. | C63H113N11O12 |
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| Mol. Mass. | 1216.6378 |
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| 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)CN(C)C1=O)C(C)C |
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| Structure | 
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