Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BUK32R
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[Acetyl(thiophen-3-yl)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143304
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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 |
C37H50FN11O5S
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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](CC1=CC=C(C=C1)N=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)F)N(C3=CSC=C3)C(=O)C
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| InChI |
1S/C37H50FN11O5S/c1-21(2)17-29(33(52)46-28(32(39)51)5-4-15-44-36(40)41)47-34(53)30(18-23-8-12-26(13-9-23)45-37(42)43)48-35(54)31(19-24-6-10-25(38)11-7-24)49(22(3)50)27-14-16-55-20-27/h6-14,16,20-21,28-31H,4-5,15,17-19H2,1-3H3,(H2,39,51)(H,46,52)(H,47,53)(H,48,54)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31-/m0/s1
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| InChIKey |
UXUNSAMCTHAHPW-ORYMTKCHSA-N
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| PubChem Compound ID | ||||
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