Binder Information
Binder General Information | Top | |||
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Binder ID |
B4KP2H
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Binder Name |
Grassystatin B
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Synonyms |
CHEMBL568553; BDBM50302109
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C59H97N9O16
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Canonical SMILES |
CC[C@@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C)O
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InChI |
1S/C59H97N9O16/c1-17-38(55(77)67(15)43(28-37-22-19-18-20-23-37)56(78)68-25-21-24-42(68)57(79)82-16)61-53(75)47(36(12)69)65-46(72)30-44(70)39(26-31(2)3)62-52(74)41(29-45(60)71)63-51(73)40(27-32(4)5)64-54(76)49(34(8)9)83-59(81)50(35(10)11)84-58(80)48(33(6)7)66(13)14/h18-20,22-23,31-36,38-44,47-50,69-70H,17,21,24-30H2,1-16H3,(H2,60,71)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,65,72)/t36-,38+,39+,40+,41+,42+,43-,44+,47+,48+,49-,50+/m1/s1
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InChIKey |
ICOVQVRWYNMTQP-UXVOKYIZSA-N
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PubChem Compound ID |
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