Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BSK12E
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| Binder Name |
(5S)-4-[2-(1-Adamantyl)ethyl]-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]-5-(naphthalen-2-ylmethyl)piperazine-2,3-dione
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| Synonyms |
CHEMBL3593547; BDBM50104625
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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 |
C56H63N5O5
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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=CC8=CC=CC=C8C=C7)CN9[C@@H](CNC(=O)C9=O)CC1=CC2=CC=CC=C2C=C1
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| InChI |
1S/C56H63N5O5/c62-51-17-13-37(14-18-51)27-49(34-58-20-5-10-47(58)35-60-48(33-57-52(63)53(60)64)28-38-11-15-43-6-1-3-8-45(43)25-38)61-36-50(29-39-12-16-44-7-2-4-9-46(44)26-39)59(54(65)55(61)66)21-19-56-30-40-22-41(31-56)24-42(23-40)32-56/h1-4,6-9,11-18,25-26,40-42,47-50,62H,5,10,19-24,27-36H2,(H,57,63)/t40?,41?,42?,47-,48+,49-,50-,56?/m0/s1
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| InChIKey |
JAQYUWLFIRGDEX-JEHAMROTSA-N
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| PubChem Compound ID | ||||
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