Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L4ZX9H
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| Ligand Name |
Protac MS33
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| Synonyms |
Protac MS33
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| Structure |
 |
Download2D MOL
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| Formula |
C64H84F3N11O7S
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| Canonical SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)CC5=CC(=CC=C5)C6=CC(=C(C=C6)N7CCN(CC7)C)NC(=O)C8=C(CC(=O)N=C8)C(F)(F)F)O
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| InChI |
1S/C64H84F3N11O7S/c1-43-58(86-42-71-43)46-20-18-44(19-21-46)38-70-61(84)54-36-49(79)41-78(54)62(85)59(63(2,3)4)73-56(81)17-12-10-8-6-7-9-11-16-55(80)68-24-25-75-28-30-76(31-29-75)40-45-14-13-15-47(34-45)48-22-23-53(77-32-26-74(5)27-33-77)52(35-48)72-60(83)50-39-69-57(82)37-51(50)64(65,66)67/h13-15,18-23,34-35,39,42,49,54,59,79H,6-12,16-17,24-33,36-38,40-41H2,1-5H3,(H,68,80)(H,70,84)(H,72,83)(H,73,81)/t49-,54+,59-/m1/s1
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| InChIKey |
OFTPQBXGPMFYDS-QWQPEEPRSA-N
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| PubChem Compound ID | ||||
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