Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE3Q6S
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| Binder Name |
(2S)-N-[(1S,2R)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-(Benzylcarbamoyl)-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-(2-acetamidoacetamido)pentanoyl]pyrrolidin-2-yl]formamido}pentanamide
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| Synonyms |
CHEMBL245933; BDBM50204331
Click to Show/Hide
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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 |
C50H77N15O11
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C)O
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| InChI |
1S/C50H77N15O11/c1-28(2)39(45(73)61-36(25-32-15-8-6-9-16-32)42(70)58-26-33-17-10-7-11-18-33)62-46(74)41(30(4)67)64-47(75)40(29(3)66)63-43(71)34(19-12-22-55-49(51)52)60-44(72)37-21-14-24-65(37)48(76)35(20-13-23-56-50(53)54)59-38(69)27-57-31(5)68/h6-11,15-18,28-30,34-37,39-41,66-67H,12-14,19-27H2,1-5H3,(H,57,68)(H,58,70)(H,59,69)(H,60,72)(H,61,73)(H,62,74)(H,63,71)(H,64,75)(H4,51,52,55)(H4,53,54,56)/t29-,30-,34+,35+,36+,37+,39+,40+,41+/m1/s1
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| InChIKey |
MKCRMHKIQQGYKJ-RKAXKREHSA-N
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| PubChem Compound ID | ||||
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