Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B2K8HW
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| Binder Name |
2-[3-[5-[4-[4-[3-[1-[4-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4-oxobutyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303875; BDBM50422292
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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 |
C61H78N2O18
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| Canonical SMILES |
C1CN(CCC1CCCC2CCN(CC2)C(=O)CCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)C(=O)CCCC6=CC(=C(C=C6)O[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)C8=CC=CC(=C8)CC(=O)O
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| InChI |
1S/C61H78N2O18/c64-34-48-54(72)56(74)58(76)60(80-48)78-46-18-16-38(30-44(46)42-12-2-10-40(28-42)32-52(68)69)8-4-14-50(66)62-24-20-36(21-25-62)6-1-7-37-22-26-63(27-23-37)51(67)15-5-9-39-17-19-47(79-61-59(77)57(75)55(73)49(35-65)81-61)45(31-39)43-13-3-11-41(29-43)33-53(70)71/h2-3,10-13,16-19,28-31,36-37,48-49,54-61,64-65,72-77H,1,4-9,14-15,20-27,32-35H2,(H,68,69)(H,70,71)/t48-,49-,54-,55-,56-,57-,58+,59+,60+,61+/m1/s1
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| InChIKey |
JYPLBCKOLIOONP-RCNFJOKHSA-N
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| PubChem Compound ID | ||||
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