Binder Information
Binder General Information | Top | |||
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Binder ID |
B17QWK
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Binder Name |
Chembl4208277
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Synonyms |
BDBM50454856
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C73H116N26O15S
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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)C)CC4=CNC5=CC=CC=C54)CCCNC(=N)N
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InChI |
1S/C73H116N26O15S/c1-7-38(3)56-66(111)93-48(20-13-29-85-72(79)80)61(106)94-51(33-42-34-87-45-17-10-9-16-44(42)45)68(113)98(6)54(58(74)103)36-115-37-55(102)89-50(32-41-23-25-43(101)26-24-41)69(114)99-31-15-22-53(99)65(110)91-49(21-14-30-86-73(81)82)63(108)97-57(39(4)8-2)67(112)92-47(19-12-28-84-71(77)78)60(105)90-46(18-11-27-83-70(75)76)62(107)95-52(35-100)64(109)88-40(5)59(104)96-56/h9-10,16-17,23-26,34,38-40,46-54,56-57,87,100-101H,7-8,11-15,18-22,27-33,35-37H2,1-6H3,(H2,74,103)(H,88,109)(H,89,102)(H,90,105)(H,91,110)(H,92,112)(H,93,111)(H,94,106)(H,95,107)(H,96,104)(H,97,108)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t38-,39-,40+,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1
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InChIKey |
KWCSIVPBRNLEDE-FHCOTSQVSA-N
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PubChem Compound ID |
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