Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BVJT12
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| Binder Name |
(2R)-2-[[(2S)-2-[Acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-6-[bis(dimethylamino)methylideneamino]hexanamide
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| Synonyms |
CHEMBL3143283
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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 |
C43H64FN11O6
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCCN=C(N(C)C)N(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)F)N(C(=O)C)C(=O)/C=C/C2=CC=CC=C2
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| InChI |
1S/C43H64FN11O6/c1-28(2)26-35(40(60)50-33(38(45)58)17-13-25-48-42(46)47)52-39(59)34(16-11-12-24-49-43(53(4)5)54(6)7)51-41(61)36(27-31-18-21-32(44)22-19-31)55(29(3)56)37(57)23-20-30-14-9-8-10-15-30/h8-10,14-15,18-23,28,33-36H,11-13,16-17,24-27H2,1-7H3,(H2,45,58)(H,50,60)(H,51,61)(H,52,59)(H4,46,47,48)/b23-20+/t33-,34+,35-,36-/m0/s1
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| InChIKey |
MFVFEDOYOFYBMA-LHSRHPTPSA-N
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| PubChem Compound ID | ||||
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