Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BSR87F
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| Binder Name |
(2S)-1-[(17S,20S,23S,26S,29S,32S,35S,38S)-29-Benzyl-20,35-bis[3-(diaminomethylideneamino)propyl]-32-(hydroxymethyl)-26-(2-methylpropyl)-2,11,19,22,25,28,31,34,37-nonaoxo-23-propan-2-yl-3,10-dioxa-1,12,18,21,24,27,30,33,36-nonazabicyclo[36.3.0]hentetracontane-17-carbonyl]pyrrolidine-2-carboxamide
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| Synonyms |
CHEMBL3884529; BDBM50210050; J3.603.361D
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C59H97N17O14
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| Canonical SMILES |
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OCCCCCCOC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CO)CCCN=C(N)N)C(=O)N4CCC[C@H]4C(=O)N)CCCN=C(N)N)C(C)C
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| InChI |
1S/C59H97N17O14/c1-35(2)32-41-51(82)74-46(36(3)4)54(85)69-39(22-15-27-66-57(63)64)48(79)70-40(55(86)75-28-16-23-44(75)47(60)78)20-10-11-25-67-58(87)89-30-12-5-6-13-31-90-59(88)76-29-17-24-45(76)53(84)68-38(21-14-26-65-56(61)62)49(80)73-43(34-77)52(83)72-42(50(81)71-41)33-37-18-8-7-9-19-37/h7-9,18-19,35-36,38-46,77H,5-6,10-17,20-34H2,1-4H3,(H2,60,78)(H,67,87)(H,68,84)(H,69,85)(H,70,79)(H,71,81)(H,72,83)(H,73,80)(H,74,82)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
JNENCPWHZPHTBT-DXYQMANYSA-N
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| PubChem Compound ID | ||||
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