Binder Information
Binder General Information | Top | |||
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Binder ID |
B49FVL
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Binder Name |
(2S)-5-Carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-(2-acetamidoacetamido)pentanoyl]pyrrolidin-2-yl]formamido}-N-(4-{[(1S)-2-methyl-1-{[(1S)-2-phenyl-1-{[2-(piperidin-1-yl)ethyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}phenyl)pentanamide
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Synonyms |
CHEMBL246330; BDBM50204349
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C49H75N15O8
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Canonical SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN2CCCCC2)NC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C
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InChI |
1S/C49H75N15O8/c1-31(2)41(46(71)61-38(29-33-13-6-4-7-14-33)43(68)54-24-28-63-25-8-5-9-26-63)62-42(67)34-18-20-35(21-19-34)58-44(69)36(15-10-22-55-48(50)51)60-45(70)39-17-12-27-64(39)47(72)37(16-11-23-56-49(52)53)59-40(66)30-57-32(3)65/h4,6-7,13-14,18-21,31,36-39,41H,5,8-12,15-17,22-30H2,1-3H3,(H,54,68)(H,57,65)(H,58,69)(H,59,66)(H,60,70)(H,61,71)(H,62,67)(H4,50,51,55)(H4,52,53,56)/t36-,37-,38-,39-,41-/m0/s1
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InChIKey |
GXAMNBIGUXXQAQ-SCLDVKORSA-N
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PubChem Compound ID |
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