Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8R7VF
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| Binder Name |
Methyl (2S)-2-[[(2S)-6-(2-adamantylamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoate
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| Synonyms |
CHEMBL3982833; BDBM50194470
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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 |
C47H67N7O9
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)C5=CC=CC=C5
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| InChI |
1S/C47H67N7O9/c1-28(2)19-37(53-42(57)29(3)50-45(60)38(25-30-13-7-5-8-14-30)51-40(56)26-49-43(58)33-15-9-6-10-16-33)46(61)52-36(44(59)54-39(27-55)47(62)63-4)17-11-12-18-48-41-34-21-31-20-32(23-34)24-35(41)22-31/h5-10,13-16,28-29,31-32,34-39,41,48,55H,11-12,17-27H2,1-4H3,(H,49,58)(H,50,60)(H,51,56)(H,52,61)(H,53,57)(H,54,59)/t29-,31?,32?,34?,35?,36-,37-,38-,39-,41?/m0/s1
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| InChIKey |
UCRSNRWWVDEHLO-JXGGDCLASA-N
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| PubChem Compound ID | ||||
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