Binder Information
Binder General Information | Top | |||
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Binder ID |
BGQ5W9
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Binder Name |
Ketothiazole inhibitor 1
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Synonyms |
CHEMBL78053; BDBM14514; 2-[N-(Benzylsulfonyl)-D-Phe-3-(3-pyridinyl)-L-Ala-L-Arg-]thiazole
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C33H38N8O5S2
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Canonical SMILES |
C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CN=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C3=NC=CS3)NS(=O)(=O)CC4=CC=CC=C4
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InChI |
1S/C33H38N8O5S2/c34-33(35)38-16-8-14-26(29(42)32-37-17-18-47-32)39-30(43)27(20-25-13-7-15-36-21-25)40-31(44)28(19-23-9-3-1-4-10-23)41-48(45,46)22-24-11-5-2-6-12-24/h1-7,9-13,15,17-18,21,26-28,41H,8,14,16,19-20,22H2,(H,39,43)(H,40,44)(H4,34,35,38)/t26-,27-,28+/m0/s1
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InChIKey |
RMBZABLUXSWSNA-HZFUHODCSA-N
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PubChem Compound ID |
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