Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BKBE69
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| Binder Name |
(2S)-2-[[2-[[(2S)-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]-5-amino-5-oxopentanoyl]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 |
CHEMBL1684366; BDBM50338752
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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 |
C58H95N17O14S
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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](CCC(=O)N)NC(=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/C58H95N17O14S/c1-9-16-36(53(84)73-47(49(62)80)32(5)11-3)68-51(82)39(21-23-45(61)78)67-46(79)30-64-50(81)38(20-22-44(60)77)70-55(86)42(28-35-29-63-31-65-35)72-56(87)43-19-15-26-75(43)58(89)41(18-13-14-25-59)71-57(88)48(33(6)12-4)74-54(85)37(17-10-2)69-52(83)40(24-27-90-8)66-34(7)76/h9-10,29,31-33,36-43,47-48H,1-2,11-28,30,59H2,3-8H3,(H2,60,77)(H2,61,78)(H2,62,80)(H,63,65)(H,64,81)(H,66,76)(H,67,79)(H,68,82)(H,69,83)(H,70,86)(H,71,88)(H,72,87)(H,73,84)(H,74,85)/t32-,33-,36-,37-,38-,39-,40-,41-,42-,43-,47-,48-/m0/s1
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| InChIKey |
RRABRFUTIHLDCQ-RELMKHBWSA-N
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| PubChem Compound ID | ||||
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