Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BBID85
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| Binder Name |
1-Adamantyl N-[(2R)-1-[[(1S)-2-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-naphthalen-2-yl-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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| Synonyms |
CHEMBL1160805
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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 |
C40H47F3N6O5
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| Canonical SMILES |
CC(C)(C)[C@H](C(=O)N[C@@H](C1=CC2=CC=CC=C2C=C1)C(=O)NC(CC3=CC=C(C=C3)N=C(N)N)C(=O)C(F)(F)F)NC(=O)OC45CC6CC(C4)CC(C6)C5
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| InChI |
1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/t23?,24?,25?,30?,31-,32-,39?/m0/s1
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| InChIKey |
FSQMPBMPAVBLCK-RQEWZCSHSA-N
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| PubChem Compound ID | ||||
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