Binder Information
Binder General Information | Top | |||
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Binder ID |
B1C2UF
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Binder Name |
Cyclo[FYDEPLEbtA]-NH2
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Synonyms |
CHEMBL399914; BDBM50221333
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C49H63N13O16
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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)NC(=O)N1)CCC(=O)O)CC(=O)O)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)N=N2)C(=O)N)CCC(=O)O
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InChI |
1S/C49H63N13O16/c1-25(2)19-33-43(72)51-30(14-16-38(64)65)42(71)53-32(41(50)70)22-28-24-62(60-58-28)59-36(21-26-7-4-3-5-8-26)46(75)54-34(20-27-10-12-29(63)13-11-27)44(73)55-35(23-40(68)69)45(74)52-31(15-17-39(66)67)48(77)61-18-6-9-37(61)47(76)57-49(78)56-33/h3-5,7-8,10-13,24-25,30-37,59,63H,6,9,14-23H2,1-2H3,(H2,50,70)(H,51,72)(H,52,74)(H,53,71)(H,54,75)(H,55,73)(H,64,65)(H,66,67)(H,68,69)(H2,56,57,76,78)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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InChIKey |
SSZOZAPFWIJPDL-MDKUUQCZSA-N
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PubChem Compound ID |
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