Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BUM6I7
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| Binder Name |
(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,4R)-1-[(2S)-2-[[(2S)-1-Acetylpyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]-4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
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| Synonyms |
CHEMBL1946129; BDBM50362889
Click to Show/Hide
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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 |
C53H75N11O20
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)C)O/N=C/C5=CC(=C(C=C5)OC)OC)O
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| InChI |
1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1
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| InChIKey |
MJZZLWSKBXDTGS-KAXZWBJDSA-N
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| PubChem Compound ID | ||||
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