Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BDLJ61
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| Binder Name |
Methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(dimethylamino)hexanoyl]amino]-3-hydroxypropanoate
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| Synonyms |
CHEMBL3954152; BDBM50194431
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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 |
C39H57N7O9
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2
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| InChI |
1S/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/m0/s1
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| InChIKey |
PJWSTQJTRDBBIU-LJEIBCANSA-N
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| PubChem Compound ID | ||||
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