Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5RV3S
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| Binder Name |
(3S)-3-[[(2S)-2-Acetamido-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(3S,6S,9S,12S,15S,18R,23R,26S,29S)-23-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-6-(hydroxymethyl)-26-(1H-imidazol-5-ylmethyl)-12-(1H-indol-3-ylmethyl)-3,15-bis(2-methylpropyl)-2,5,8,11,14,17,25,28-octaoxo-9-propan-2-yl-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-18-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL1689445; BDBM50339219
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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 |
C80H125N19O19S2
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CC3=CN=CN3)CC(C)C)CO)C(C)C)CC4=CNC5=CC=CC=C54)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C
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| InChI |
1S/C80H125N19O19S2/c1-17-44(14)65(66(81)104)98-67(105)45(15)85-68(106)52(26-39(4)5)87-75(113)59-35-119-120-36-60(95-79(117)64(43(12)13)97-73(111)56(31-62(102)103)90-69(107)51(25-38(2)3)86-46(16)101)76(114)88-53(27-40(6)7)70(108)89-54(29-47-32-83-50-22-19-18-21-49(47)50)72(110)96-63(42(10)11)78(116)93-58(34-100)74(112)92-57(28-41(8)9)80(118)99-24-20-23-61(99)77(115)91-55(71(109)94-59)30-48-33-82-37-84-48/h18-19,21-22,32-33,37-45,51-61,63-65,83,100H,17,20,23-31,34-36H2,1-16H3,(H2,81,104)(H,82,84)(H,85,106)(H,86,101)(H,87,113)(H,88,114)(H,89,108)(H,90,107)(H,91,115)(H,92,112)(H,93,116)(H,94,109)(H,95,117)(H,96,110)(H,97,111)(H,98,105)(H,102,103)/t44-,45-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-,65-/m0/s1
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| InChIKey |
XTDYARQHELPYMO-KLINHOKJSA-N
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| PubChem Compound ID | ||||
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