Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BS6PH2
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| Binder Name |
Dilithium;3-amino-9-[4-[[(5S)-5-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-19-hydroxy-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]-2-carboxyphenyl]-6-iminoxanthene-4,5-disulfonate
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| Synonyms |
CHEMBL1765670
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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 |
C68H76Li2N12O23S4
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| Canonical SMILES |
[Li+].[Li+].CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)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/C68H78N12O23S4.2Li/c1-33(2)25-45-61(88)77-48(29-52(71)83)64(91)79-49(31-104-105-32-51(82)66(93)78-47(27-35-13-16-37(81)17-14-35)63(90)76-46(62(89)75-45)26-34-9-4-3-5-10-34)67(94)80-24-8-12-50(80)65(92)74-44(60(87)73-30-53(84)85)11-6-7-23-72-59(86)36-15-18-38(41(28-36)68(95)96)54-39-19-21-42(69)57(106(97,98)99)55(39)103-56-40(54)20-22-43(70)58(56)107(100,101)102;;/h3-5,9-10,13-22,28,33,44-51,69,81-82H,6-8,11-12,23-27,29-32,70H2,1-2H3,(H2,71,83)(H,72,86)(H,73,87)(H,74,92)(H,75,89)(H,76,90)(H,77,88)(H,78,93)(H,79,91)(H,84,85)(H,95,96)(H,97,98,99)(H,100,101,102);;/q;2*+1/p-2/t44-,45-,46-,47-,48-,49-,50-,51?;;/m0../s1
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| InChIKey |
FTNFSSVLTIZDOZ-YOMPUVKYSA-L
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| PubChem Compound ID | ||||
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