Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BH95BC
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2R)-2-[Acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143287
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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 |
C41H54N12O6
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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=CN=CC=C2)N(C(=O)C)C(=O)/C=C/C3=CC=CC=C3
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| InChI |
1S/C41H54N12O6/c1-25(2)21-32(37(57)50-31(36(42)56)12-8-20-48-40(43)44)51-38(58)33(22-28-13-16-30(17-14-28)49-41(45)46)52-39(59)34(23-29-11-7-19-47-24-29)53(26(3)54)35(55)18-15-27-9-5-4-6-10-27/h4-7,9-11,13-19,24-25,31-34H,8,12,20-23H2,1-3H3,(H2,42,56)(H,50,57)(H,51,58)(H,52,59)(H4,43,44,48)(H4,45,46,49)/b18-15+/t31-,32-,33-,34+/m0/s1
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| InChIKey |
LHAVZIYGGCIXME-XOXINDJLSA-N
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| PubChem Compound ID | ||||
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