Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BEZQ59
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| Binder Name |
(4S)-4-[[(2S)-2-[[2-[[4-[3-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-Acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]prop-1-ynyl]benzoyl]amino]acetyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL1793843; BDBM50366881
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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 |
C61H84N12O24P2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)C#CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C)O
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| InChI |
1S/C61H84N12O24P2/c1-32(2)25-44(54(62)82)71-61(89)53(35(6)75)73-57(85)43(22-23-51(80)81)70-58(86)47(28-39-14-20-42(21-15-39)97-99(93,94)95)69-49(78)30-64-55(83)40-16-10-37(11-17-40)9-8-24-63-48(77)29-65-56(84)45(26-33(3)4)68-50(79)31-66-60(88)52(34(5)74)72-59(87)46(67-36(7)76)27-38-12-18-41(19-13-38)96-98(90,91)92/h10-21,32-35,43-47,52-53,74-75H,22-31H2,1-7H3,(H2,62,82)(H,63,77)(H,64,83)(H,65,84)(H,66,88)(H,67,76)(H,68,79)(H,69,78)(H,70,86)(H,71,89)(H,72,87)(H,73,85)(H,80,81)(H2,90,91,92)(H2,93,94,95)/t34-,35-,43+,44+,45+,46+,47+,52+,53+/m1/s1
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| InChIKey |
CUIMMWZEXBOXRX-YIBBQWLCSA-N
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| PubChem Compound ID | ||||
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