Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BU0QV6
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| Binder Name |
2-[3-[5-[3-[3-[3-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propylsulfanyl]propylsulfanyl]propyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303872; BDBM50422279
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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 |
C49H60O16S2
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCSCCCSCCCC3=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/C49H60O16S2/c50-26-38-42(56)44(58)46(60)48(64-38)62-36-14-12-28(22-34(36)32-10-1-6-30(20-32)24-40(52)53)8-3-16-66-18-5-19-67-17-4-9-29-13-15-37(63-49-47(61)45(59)43(57)39(27-51)65-49)35(23-29)33-11-2-7-31(21-33)25-41(54)55/h1-2,6-7,10-15,20-23,38-39,42-51,56-61H,3-5,8-9,16-19,24-27H2,(H,52,53)(H,54,55)/t38-,39-,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
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| InChIKey |
PQFGHXIYSYUKEF-WIFLQSRTSA-N
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| PubChem Compound ID | ||||
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