Reaction Details |
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Target | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
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Ligand | BDBM50095911 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1502595 (CHEMBL3592735) |
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Kd | 1070±n/a nM |
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Citation | Jiang, B; Pei, D A Selective, Cell-Permeable Nonphosphorylated Bicyclic Peptidyl Inhibitor against Peptidyl-Prolyl Isomerase Pin1. J Med Chem58:6306-12 (2015) [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 NIMA-interacting 1 |
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Name: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
Synonyms: | PIN1 | PIN1_HUMAN | PPIase Pin1 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
Type: | PROTEIN |
Mol. Mass.: | 18248.11 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1502595 |
Residue: | 163 |
Sequence: | MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHL
LVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARG
DLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
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BDBM50095911 |
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n/a |
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Name | BDBM50095911 |
Synonyms: | CHEMBL3590358 |
Type | Small organic molecule |
Emp. Form. | C116H160FN35O22 |
Mol. Mass. | 2415.7313 |
SMILES | [H][C@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](NC(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)C(C)C)[C@H](C)O |
Structure |
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