Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW92ML
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| Binder Name |
(4S)-4-Amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-4-[[(1S)-1-carboxybutyl]amino]-1-cyclohexyl-3-hydroxy-4-oxobutan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL3604695; BDBM50110901
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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 |
C33H53N5O9S
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| Canonical SMILES |
CCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CC=CS2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)N)O
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| InChI |
1S/C33H53N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h9,13,16,19-20,22-25,27-28,41H,4-8,10-12,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28-/m0/s1
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| InChIKey |
RHVUALANAPWYEJ-UAIMJAIFSA-N
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| PubChem Compound ID | ||||
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