| Reaction Details |
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 | Report a problem with these data |
| Target | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
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| Ligand | BDBM50345548 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_751560 (CHEMBL1787486) |
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| Ki | 200±n/a nM |
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| Citation |  Duncan, KE; Dempsey, BR; Killip, LE; Adams, J; Bailey, ML; Lajoie, GA; Litchfield, DW; Brandl, CJ; Shaw, GS; Shilton, BH Discovery and characterization of a nonphosphorylated cyclic peptide inhibitor of the peptidylprolyl isomerase, Pin1. J Med Chem54:3854-65 (2011) [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 |
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| Synonyms: | PIN1 | PIN1_HUMAN | PPIase Pin1 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 18248.11 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1502595 |
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| Residue: | 163 |
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| Sequence: | MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHL
LVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARG
DLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
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| BDBM50345548 |
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| n/a |
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| Name | BDBM50345548 |
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| Synonyms: | CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | cyclic CRYPEVEIC |
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| Type | Small organic molecule |
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| Emp. Form. | C47H72N12O15S2 |
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| Mol. Mass. | 1109.276 |
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| SMILES | [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6] |r| |
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| Structure | 
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