Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BIR73O
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| Binder Name |
2-[3-[5-[9-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]nonyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303877; BDBM50422290
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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 |
C49H60O16
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H](C(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/C49H60O16/c50-26-38-42(56)44(58)46(60)48(64-38)62-36-18-16-28(22-34(36)32-14-8-12-30(20-32)24-40(52)53)10-6-4-2-1-3-5-7-11-29-17-19-37(63-49-47(61)45(59)43(57)39(27-51)65-49)35(23-29)33-15-9-13-31(21-33)25-41(54)55/h8-9,12-23,38-39,42-51,56-61H,1-7,10-11,24-27H2,(H,52,53)(H,54,55)/t38-,39?,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
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| InChIKey |
OTUZDNCZCGKNDT-GBMGAMMKSA-N
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| PubChem Compound ID | ||||
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