Binder Information
Binder General Information | Top | |||
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Binder ID |
B82GQV
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Binder Name |
Cyclo[KYDEPLEbtA]-NH2
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Synonyms |
CHEMBL399245; BDBM50221334
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C45H65N13O15
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Canonical SMILES |
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC2=CN(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)CCC(=O)O)CC(=O)O)CC4=CC=C(C=C4)O)CCCCN)N=N2)C(=O)N)CCC(=O)O
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InChI |
1S/C45H65N13O15/c1-23(2)18-31-41(69)48-27(12-14-35(60)61)39(67)50-30(38(47)66)20-25-22-58(56-54-25)55-28(6-3-4-16-46)40(68)51-32(19-24-8-10-26(59)11-9-24)42(70)52-33(21-37(64)65)43(71)49-29(13-15-36(62)63)45(73)57-17-5-7-34(57)44(72)53-31/h8-11,22-23,27-34,55,59H,3-7,12-21,46H2,1-2H3,(H2,47,66)(H,48,69)(H,49,71)(H,50,67)(H,51,68)(H,52,70)(H,53,72)(H,60,61)(H,62,63)(H,64,65)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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InChIKey |
VNVCYRDZMVWQBP-LGYYRGKSSA-N
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PubChem Compound ID |
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