Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3MVX7
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| Binder Name |
2-[3-[4-[6-[3-[3-(Carboxymethoxy)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid
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| Synonyms |
CHEMBL2303882; BDBM50422291
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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 |
C46H54O18
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| Canonical SMILES |
C1=CC(=CC(=C1)OCC(=O)O)C2=C(C=C(C=C2)CCCCCCC3=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)OCC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O
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| InChI |
1S/C46H54O18/c47-21-35-39(53)41(55)43(57)45(63-35)61-33-16-14-25(17-32(33)28-10-6-12-30(20-28)60-24-38(51)52)7-3-1-2-4-8-26-13-15-31(27-9-5-11-29(19-27)59-23-37(49)50)34(18-26)62-46-44(58)42(56)40(54)36(22-48)64-46/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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| InChIKey |
HXXGEQZSWCLLAQ-PDKFAMIPSA-N
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| PubChem Compound ID | ||||
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