Binder Information
Binder General Information | Top | |||
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Binder ID |
BUVP68
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Binder Name |
Chembl4162159
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Synonyms |
BDBM50449676
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C63H96N18O18S2
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Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CO)CCCCN)[C@@H](C)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC2=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N
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InChI |
1S/C63H96N18O18S2/c1-4-33(2)49-59(96)76-41-31-100-101-32-42(56(93)78-50(34(3)83)60(97)71-37(16-8-9-21-64)54(91)74-40(30-82)52(89)69-29-47(85)79-23-13-20-45(79)62(99)81-25-12-19-44(81)58(95)77-49)75-53(90)36(17-10-22-67-63(65)66)70-46(84)28-68-51(88)38(27-48(86)87)72-57(94)43-18-11-24-80(43)61(98)39(73-55(41)92)26-35-14-6-5-7-15-35/h5-7,14-15,33-34,36-45,49-50,82-83H,4,8-13,16-32,64H2,1-3H3,(H,68,88)(H,69,89)(H,70,84)(H,71,97)(H,72,94)(H,73,92)(H,74,91)(H,75,90)(H,76,96)(H,77,95)(H,78,93)(H,86,87)(H4,65,66,67)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1
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InChIKey |
LIKDFTWWPULYOJ-FBYJCYDQSA-N
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PubChem Compound ID |
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