Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9EXN1
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| Binder Name |
(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Synonyms |
CHEMBL2369714; BDBM50366418
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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 |
C40H56N10O9
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C
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| InChI |
1S/C40H56N10O9/c1-6-22(4)34(38(56)48-31(40(58)59)15-24-18-43-27-11-8-7-10-26(24)27)49-37(55)32-12-9-13-50(32)39(57)30(17-33(41)52)47-35(53)28(14-21(2)3)46-36(54)29(45-23(5)51)16-25-19-42-20-44-25/h7-8,10-11,18-22,28-32,34,43H,6,9,12-17H2,1-5H3,(H2,41,52)(H,42,44)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)(H,58,59)/t22-,28-,29-,30-,31-,32-,34-/m0/s1
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| InChIKey |
IFIKNQQQCVILSJ-WSLLFAHXSA-N
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| PubChem Compound ID | ||||
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