Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK35BA
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| Binder Name |
2-[3-[5-[2-[[3,5-Bis[[2-[3-[2-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-oxoethyl]sulfanylmethyl]phenyl]methylsulfanyl]acetyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303867; BDBM50422281
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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 |
C75H78O27S3
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| Canonical SMILES |
C1=CC=C(C(=C1)CC(=O)O)C2=C(C=CC(=C2)C(=O)CSCC3=CC(=CC(=C3)CSCC(=O)C4=CC(=C(C=C4)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)CSCC(=O)C7=CC(=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)C9=CC=CC=C9CC(=O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
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| InChI |
1S/C75H78O27S3/c76-28-58-64(88)67(91)70(94)73(100-58)97-55-15-12-44(23-49(55)41-9-5-6-37(21-41)22-61(82)83)52(79)34-103-31-38-18-39(32-104-35-53(80)45-13-16-56(98-74-71(95)68(92)65(89)59(29-77)101-74)50(24-45)47-10-3-1-7-42(47)26-62(84)85)20-40(19-38)33-105-36-54(81)46-14-17-57(99-75-72(96)69(93)66(90)60(30-78)102-75)51(25-46)48-11-4-2-8-43(48)27-63(86)87/h1-21,23-25,58-60,64-78,88-96H,22,26-36H2,(H,82,83)(H,84,85)(H,86,87)/t58-,59-,60-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+/m1/s1
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| InChIKey |
YTJSOECOKDXQFZ-PHSBXOLOSA-N
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| PubChem Compound ID | ||||
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