Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE27TD
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| Binder Name |
2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(Dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-52-hydroxy-18-[(1R)-1-hydroxyethyl]-9-methoxy-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
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| Synonyms |
CHEMBL504492; BDBM50258832
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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 |
C66H72N14O18S5
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| Canonical SMILES |
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H]3[C@H]4C5=NC(=CS5)C(=O)N[C@@H](COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)N[C@H](C(=O)N/C(=C(\\C)/OC)/C1=NC(=CS1)C(=O)N4)[C@@H](C)O)OC)C1=NC(=CS1)C(=O)NCCCN1CCOCC1)(C)O)N(C)C
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| InChI |
1S/C66H72N14O18S5/c1-29(81)45-58(86)76-46(30(2)91-7)61-72-40(28-101-61)57(85)77-49-51-52(98-43-20-66(4,89)53(78(5)6)31(3)97-43)65(88)95-21-32-11-9-12-41-44(32)34(22-94-51)50(80(41)90)64(87)96-23-35(68-55(83)38-27-103-63(49)73-38)60-69-36(24-100-60)47-33(59-70-39(26-99-59)56(84)75-45)19-42(92-8)48(74-47)62-71-37(25-102-62)54(82)67-13-10-14-79-15-17-93-18-16-79/h9,11-12,19,24-29,31,35,43,45,49,51-53,81,89-90H,10,13-18,20-23H2,1-8H3,(H,67,82)(H,68,83)(H,75,84)(H,76,86)(H,77,85)/b46-30+/t29-,31+,35+,43+,45+,49+,51+,52+,53-,66+/m1/s1
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| InChIKey |
ATHBTCOFQCXOFU-DDKZQSMASA-N
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| PubChem Compound ID | ||||
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