Binder Information
Binder General Information | Top | |||
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Binder ID |
B1BOC8
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Binder Name |
Chembl4206582
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Synonyms |
BDBM50454850
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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)N[C@@H](C(=O)N1)C)CO)CCCNC(=N)N)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N)CC3=CC=C(C=C3)O)C(=O)N)CC4=CNC5=CC=CC=C54)CCCNC(=N)N
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InChI |
1S/C72H114N26O15S/c1-6-37(3)55-66(111)92-47(19-12-28-84-71(78)79)60(105)93-49(32-41-33-86-44-16-9-8-15-43(41)44)63(108)95-52(57(73)102)35-114-36-54(101)88-50(31-40-22-24-42(100)25-23-40)68(113)98-30-14-21-53(98)65(110)90-48(20-13-29-85-72(80)81)62(107)97-56(38(4)7-2)67(112)91-46(18-11-27-83-70(76)77)59(104)89-45(17-10-26-82-69(74)75)61(106)94-51(34-99)64(109)87-39(5)58(103)96-55/h8-9,15-16,22-25,33,37-39,45-53,55-56,86,99-100H,6-7,10-14,17-21,26-32,34-36H2,1-5H3,(H2,73,102)(H,87,109)(H,88,101)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,105)(H,94,106)(H,95,108)(H,96,103)(H,97,107)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t37-,38-,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1
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InChIKey |
MLQJIASFGMOPPF-HGVOXRFESA-N
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PubChem Compound ID |
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