Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9WK4P
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| Binder Name |
(2S)-2-[[2-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]acetyl]amino]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL261417; BDBM50478362
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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 |
C41H56N8O8
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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]2CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N
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| InChI |
1S/C41H56N8O8/c1-5-25(4)36(48-37(52)31(46-38(53)35(42)24(2)3)18-27-13-15-30(50)16-14-27)39(54)47-32(20-28-22-43-23-44-28)40(55)49-17-9-12-29(49)21-34(51)45-33(41(56)57)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,29,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t25-,29-,31-,32-,33-,35-,36-/m0/s1
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| InChIKey |
HYBPQVRYAVCDCZ-BJDCTHFYSA-N
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| PubChem Compound ID | ||||
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