| Reaction Details |
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 | Report a problem with these data |
| Target | Protein S100-B |
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| Ligand | BDBM45440 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1555507 (CHEMBL3768089) |
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| Kd | 50000±n/a nM |
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| Citation |  Cavalier, MC; Ansari, MI; Pierce, AD; Wilder, PT; McKnight, LE; Raman, EP; Neau, DB; Bezawada, P; Alasady, MJ; Charpentier, TH; Varney, KM; Toth, EA; MacKerell, AD; Coop, A; Weber, DJ Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J Med Chem59:592-608 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Protein S100-B |
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| Name: | Protein S100-B |
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| Synonyms: | Protein S100-B | S-100 protein beta chain | S-100 protein subunit beta | S100 calcium-binding protein B | S100B_RAT | S100b |
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| Type: | PROTEIN |
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| Mol. Mass.: | 10731.34 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_116732 |
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| Residue: | 92 |
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| Sequence: | MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMET
LDEDGDGECDFQEFMAFVSMVTTACHEFFEHE
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| BDBM45440 |
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| n/a |
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| Name | BDBM45440 |
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| Synonyms: | 4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid | CHEMBL494163 | MLS000028738 | PENTAMIDINE | PENTAMIDINE ISETHIONATE | SMR000059147 | cid_359323 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H24N4O2 |
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| Mol. Mass. | 340.4195 |
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| SMILES | NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 |
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| Structure | 
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