Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJTM14
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| Binder Name |
(1-{1-[1-(2-{1-[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-2-methyl-propylcarbamoyl}-1-hydroxy-ethyl)-3-methyl-butylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester
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| Synonyms |
CHEMBL50313; BDBM50127423
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C36H59N5O9S
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| Canonical SMILES |
CC(C)CC([C@H](CC(=O)N[C@H](C(C)C)C(=O)NCC1=CC2=C(C=C1)OCO2)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
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| InChI |
1S/C36H59N5O9S/c1-20(2)15-25(39-32(44)24(13-14-51-10)38-34(46)31(22(5)6)41-35(47)50-36(7,8)9)26(42)17-29(43)40-30(21(3)4)33(45)37-18-23-11-12-27-28(16-23)49-19-48-27/h11-12,16,20-22,24-26,30-31,42H,13-15,17-19H2,1-10H3,(H,37,45)(H,38,46)(H,39,44)(H,40,43)(H,41,47)/t24-,25?,26-,30+,31-/m0/s1
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| InChIKey |
JJUGXLPKHKGPQR-LJMBIBBJSA-N
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| PubChem Compound ID | ||||
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