Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BSC93W
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| Binder Name |
(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-methylsulfanylbutanoyl]amino]pent-4-enoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxopent-4-en-2-yl]pentanediamide
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| Synonyms |
CHEMBL1684370; BDBM50338751
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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 |
C53H87N15O12S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCSC)NC(=O)C
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| InChI |
1S/C53H87N15O12S/c1-9-16-34(49(76)66-43(45(56)72)30(5)11-3)62-47(74)36(20-21-41(55)70)61-42(71)28-58-46(73)39(26-33-27-57-29-59-33)65-51(78)40-19-15-24-68(40)53(80)38(18-13-14-23-54)64-52(79)44(31(6)12-4)67-50(77)35(17-10-2)63-48(75)37(22-25-81-8)60-32(7)69/h9-10,27,29-31,34-40,43-44H,1-2,11-26,28,54H2,3-8H3,(H2,55,70)(H2,56,72)(H,57,59)(H,58,73)(H,60,69)(H,61,71)(H,62,74)(H,63,75)(H,64,79)(H,65,78)(H,66,76)(H,67,77)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,43-,44-/m0/s1
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| InChIKey |
ULHJCYBSQXBBAR-IYCVMPKLSA-N
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| PubChem Compound ID | ||||
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