Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE8I7P
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| Binder Name |
Dilithium;2-(3-amino-6-imino-5-sulfo-4-sulfonatoxanthen-9-yl)-5-[[(5S)-5-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-6-(carboxymethylamino)-6-oxohexyl]carbamoyl]benzoate
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| Synonyms |
CHEMBL1765665
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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 |
C68H76Li2N12O22S4
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| Canonical SMILES |
[Li+].[Li+].CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=N)C(=C7OC8=C6C=CC(=C8S(=O)(=O)[O-])N)S(=O)(=O)O)C(=O)[O-])C(=O)NCC(=O)O)CC(=O)N
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| InChI |
1S/C68H78N12O22S4.2Li/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101;;/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101);;/q;2*+1/p-2/t45-,46-,47-,48-,49-,50-,51-;;/m0../s1
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| InChIKey |
YMHAKXNSUTUDIO-NXAWWMPUSA-L
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| PubChem Compound ID | ||||
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