Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BP35RM
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| Binder Name |
(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-[6-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]carbamothioylamino]hexoxy]-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-carboxylic acid
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| Synonyms |
CHEMBL3215418; BDBM50214503
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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 |
C58H76N4O28S
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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]([C@@H](O[C@H]([C@H]2O[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)CO)OCCCCCCNC(=S)NC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O)NC(=O)C)O)O)O
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| InChI |
1S/C58H76N4O28S/c1-23-42(72)45(75)46(76)54(83-23)88-50-41(61-25(3)67)53(82-15-7-5-4-6-14-59-57(91)62-26-8-11-29(32(16-26)52(78)79)39-30-12-9-27(68)17-35(30)84-36-18-28(69)10-13-31(36)39)86-38(22-65)48(50)87-55-47(77)51(44(74)37(21-64)85-55)90-58(56(80)81)19-33(70)40(60-24(2)66)49(89-58)43(73)34(71)20-63/h8-13,16-18,23,33-34,37-38,40-51,53-55,63-65,68,70-77H,4-7,14-15,19-22H2,1-3H3,(H,60,66)(H,61,67)(H,78,79)(H,80,81)(H2,59,62,91)/t23-,33+,34+,37-,38-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50+,51-,53+,54-,55-,58-/m0/s1
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| InChIKey |
XRFCXFFIUFWZSB-ZBBCSBRWSA-N
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| PubChem Compound ID | ||||
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