Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BX2VY0
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| Binder Name |
(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-29-(4-aminobutyl)-11,23-dibenzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-17-methyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
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| Synonyms |
CHEMBL3735217; BDBM50499237
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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 |
C59H91N17O11S2
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| Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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)N1)CC3CCN(CC3)C(=N)N)CC4=CC=CC=C4)CCCN=C(N)N)CCCCN)N)C(=O)O)CC5=CC=CC=C5)CC(C)C
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| InChI |
1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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| InChIKey |
LECDADCSAFKFQE-LEXUIDAJSA-N
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| PubChem Compound ID | ||||
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