Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BKEC43
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| Binder Name |
2-[3-[5-[7-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]heptyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303886; BDBM50422285
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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 |
C47H56O16
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCCC3=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)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O
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| InChI |
1S/C47H56O16/c48-24-36-40(54)42(56)44(58)46(62-36)60-34-16-14-26(20-32(34)30-12-6-10-28(18-30)22-38(50)51)8-4-2-1-3-5-9-27-15-17-35(61-47-45(59)43(57)41(55)37(25-49)63-47)33(21-27)31-13-7-11-29(19-31)23-39(52)53/h6-7,10-21,36-37,40-49,54-59H,1-5,8-9,22-25H2,(H,50,51)(H,52,53)/t36-,37-,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
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| InChIKey |
LRTXVMNVFWDLSK-XCBOTMEJSA-N
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| PubChem Compound ID | ||||
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