Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BTH54D
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| Binder Name |
(5S)-4-[2-(1-Adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-[[(6R)-6-(naphthalen-2-ylmethyl)-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]piperazine-2,3-dione
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| Synonyms |
CHEMBL3593545; BDBM50104627
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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 |
C52H61N5O6
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| Canonical SMILES |
C1C[C@H](N(C1)C[C@H](CC2=CC=C(C=C2)O)N3C[C@@H](N(C(=O)C3=O)CCC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)O)CN8[C@@H](CNC(=O)C8=O)CC9=CC1=CC=CC=C1C=C9
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| InChI |
1S/C52H61N5O6/c58-46-13-8-34(9-14-46)24-44(31-54-18-3-6-42(54)32-56-43(30-53-48(60)49(56)61)26-36-7-12-40-4-1-2-5-41(40)23-36)57-33-45(25-35-10-15-47(59)16-11-35)55(50(62)51(57)63)19-17-52-27-37-20-38(28-52)22-39(21-37)29-52/h1-2,4-5,7-16,23,37-39,42-45,58-59H,3,6,17-22,24-33H2,(H,53,60)/t37?,38?,39?,42-,43+,44-,45-,52?/m0/s1
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| InChIKey |
YJKDBAIGNHAGFS-DRIZYNOISA-N
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| PubChem Compound ID | ||||
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