Binder Information
Binder General Information | Top | |||
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Binder ID |
BA6EQ7
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Binder Name |
Chembl4208111
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Synonyms |
BDBM50454852
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C72H114N26O15S
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Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@@H](CSCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CO)CCCNC(=N)N)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N)CC3=CC=C(C=C3)O)C(=O)N)C)CC4=CNC5=CC=CC=C54)CCCNC(=N)N
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InChI |
1S/C72H114N26O15S/c1-6-38(3)56-65(110)91-47(19-12-28-84-71(78)79)61(106)93-50(32-41-33-86-44-16-9-8-15-43(41)44)67(112)97(5)53(58(73)103)36-114-37-55(102)88-49(31-40-22-24-42(100)25-23-40)68(113)98-30-14-21-52(98)64(109)90-48(20-13-29-85-72(80)81)63(108)96-57(39(4)7-2)66(111)92-46(18-11-27-83-70(76)77)60(105)89-45(17-10-26-82-69(74)75)62(107)94-51(35-99)59(104)87-34-54(101)95-56/h8-9,15-16,22-25,33,38-39,45-53,56-57,86,99-100H,6-7,10-14,17-21,26-32,34-37H2,1-5H3,(H2,73,103)(H,87,104)(H,88,102)(H,89,105)(H,90,109)(H,91,110)(H,92,111)(H,93,106)(H,94,107)(H,95,101)(H,96,108)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t38-,39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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InChIKey |
CFIJGRZCZVNJQK-RUICNEGMSA-N
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PubChem Compound ID |
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