Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BX4NW6
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| Binder Name |
(1R,4S,8R,10S,13R,18R,21R,27S,30S,33S)-30-(4-Aminobutyl)-18-[[(2S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-8-hydroxy-27-[(4-hydroxyphenyl)methyl]-4-(1H-imidazol-5-ylmethyl)-33-(2-methylpropyl)-2,5,11,19,22,25,28,31,34-nonaoxo-15,16,37,38-tetrathia-3,6,12,20,23,26,29,32,35-nonazatricyclo[19.14.4.06,10]nonatriacontane-13-carboxylic acid
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| Synonyms |
CHEMBL503461
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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 |
C57H85N17O17S4
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| Canonical SMILES |
CC(C)C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC3=CC=C(C=C3)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC5=CN=CN5)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)N
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| InChI |
1S/C57H85N17O17S4/c1-27(2)13-35-50(83)70-39-23-93-92-22-38(48(81)63-19-44(78)65-36(14-29-8-10-31(75)11-9-29)51(84)66-34(49(82)67-35)7-5-6-12-58)69-53(86)40(71-55(88)46(28(3)4)73-45(79)20-62-47(80)33(59)17-43(60)77)24-94-95-25-41(57(90)91)72-54(87)42-16-32(76)21-74(42)56(89)37(68-52(39)85)15-30-18-61-26-64-30/h8-11,18,26-28,32-42,46,75-76H,5-7,12-17,19-25,58-59H2,1-4H3,(H2,60,77)(H,61,64)(H,62,80)(H,63,81)(H,65,78)(H,66,84)(H,67,82)(H,68,85)(H,69,86)(H,70,83)(H,71,88)(H,72,87)(H,73,79)(H,90,91)/t32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/s1
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| InChIKey |
MLQKNFBXQZTRNM-AMVDFXKXSA-N
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| PubChem Compound ID | ||||
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