Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW1XJ9
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| Binder Name |
(2S)-N-[(3S,9S,12S,18S,24S,27S)-9,24-Dibenzyl-18-[[(2S)-2-(methylamino)propanoyl]amino]-2,8,11,17,23,26-hexaoxo-1,7,10,16,22,25-hexazatricyclo[25.3.0.012,16]triacontan-3-yl]-2-(methylamino)propanamide
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| Synonyms |
CHEMBL1095992; BDBM50316636
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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 |
C46H66N10O8
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| Canonical SMILES |
C[C@@H](C(=O)N[C@H]1CCCNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C1=O)CC4=CC=CC=C4)NC(=O)[C@H](C)NC)CC5=CC=CC=C5)NC
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| InChI |
1S/C46H66N10O8/c1-29(47-3)39(57)51-33-19-11-23-49-41(59)35(27-31-15-7-5-8-16-31)54-44(62)38-22-14-26-56(38)46(64)34(52-40(58)30(2)48-4)20-12-24-50-42(60)36(28-32-17-9-6-10-18-32)53-43(61)37-21-13-25-55(37)45(33)63/h5-10,15-18,29-30,33-38,47-48H,11-14,19-28H2,1-4H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t29-,30-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
COFWKVLLSLJLFG-DEPBBLTESA-N
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| PubChem Compound ID | ||||
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