Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5K9MD
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| Binder Name |
(3S)-3-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-(Aminomethyl)-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid
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| Synonyms |
CHEMBL259019; BDBM50415633
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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 |
C42H58N8O8
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)CC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](CN)C(C)C
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| InChI |
1S/C42H58N8O8/c1-5-26(4)37(49-39(55)33(19-28-13-15-31(51)16-14-28)47-38(54)32(22-43)25(2)3)41(57)48-34(20-30-23-44-24-45-30)42(58)50-17-9-12-35(50)40(56)46-29(21-36(52)53)18-27-10-7-6-8-11-27/h6-8,10-11,13-16,23-26,29,32-35,37,51H,5,9,12,17-22,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,52,53)/t26-,29-,32-,33-,34-,35-,37-/m0/s1
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| InChIKey |
BRDHXPSHOMSVLE-SORIKHJUSA-N
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| PubChem Compound ID | ||||
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