Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BA7Y4K
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| Binder Name |
(3R)-3-[[2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]propanoyl]amino]-4-[[(2S)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL302027; BDBM50407326
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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 |
C44H48N8O8
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| Canonical SMILES |
CC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)C(CC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3C)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)C
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| InChI |
1S/C44H48N8O8/c1-25-15-17-28(18-16-25)20-35(40(45)56)49-43(59)38(23-39(54)55)51-41(57)36(21-29-10-8-11-31(19-29)48-44(60)52-33-13-6-4-9-26(33)2)50-42(58)37(47-27(3)53)22-30-24-46-34-14-7-5-12-32(30)34/h4-19,24,35-38,46H,20-23H2,1-3H3,(H2,45,56)(H,47,53)(H,49,59)(H,50,58)(H,51,57)(H,54,55)(H2,48,52,60)/t35-,36?,37+,38+/m0/s1
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| InChIKey |
YQQZCZBPEZRSPG-TVRLZWIASA-N
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| PubChem Compound ID | ||||
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