Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5Y3TI
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| Binder Name |
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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| Synonyms |
CHEMBL1171455; BDBM50322765
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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 |
C76H124O40
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| Canonical SMILES |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
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| InChI |
1S/C76H124O40/c1-27-40(82)46(88)52(94)64(104-27)112-58-33(21-78)107-62(55(97)49(58)91)102-24-35-44(86)48(90)54(96)67(110-35)116-70(100)76-17-15-71(3,4)19-30(76)29-9-10-38-72(5)13-12-39(73(6,26-80)37(72)11-14-75(38,8)74(29,7)16-18-76)111-69-61(42(84)31(81)23-101-69)115-68-57(99)60(41(83)28(2)105-68)114-63-51(93)45(87)36(25-103-63)109-65-56(98)50(92)59(34(22-79)108-65)113-66-53(95)47(89)43(85)32(20-77)106-66/h9,27-28,30-69,77-99H,10-26H2,1-8H3/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,72-,73-,74+,75+,76-/m0/s1
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| InChIKey |
RSXCUISJJNMWSU-FMYXLBHYSA-N
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| PubChem Compound ID | ||||
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