Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK53XG
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| Binder Name |
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-Amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL3407790; BDBM50070032
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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 |
C40H63N9O15S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N
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| InChI |
1S/C40H63N9O15S/c1-19(2)13-26(36(59)47-28(40(63)64)15-21-5-7-22(52)8-6-21)45-34(57)24(9-11-31(42)53)44-39(62)30(18-65)49-38(61)29(17-51)48-37(60)27(14-20(3)4)46-35(58)25(10-12-32(54)55)43-33(56)23(41)16-50/h5-8,19-20,23-30,50-52,65H,9-18,41H2,1-4H3,(H2,42,53)(H,43,56)(H,44,62)(H,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,61)(H,54,55)(H,63,64)/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
NXYSYMHJVWVESJ-JEDGRRCBSA-N
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| PubChem Compound ID | ||||
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