Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B13PBI
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| Binder Name |
Sodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-5-(cyclohexanecarbonylamino)-6-[(2R,3S,4S,5S,6S)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
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| Synonyms |
CHEMBL2368518; BDBM50051834
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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 |
C44H73N2NaO28
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| Canonical SMILES |
CCO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O[C@H]5[C@H]([C@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C6CCCCC6)O.[Na+]
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| InChI |
1S/C44H74N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h15,17-37,39-42,47-50,52-61H,4-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
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| InChIKey |
UKTKCGIWELMBPG-HRWZOLSESA-M
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| PubChem Compound ID | ||||
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