Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6GRU0
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| Binder Name |
Histidyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan
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| Synonyms |
Endothelin (16-21); His-leu-asp-ile-ile-trp; CHEMBL34540; H-His-Leu-Asp-Ile-Ile-Trp-OH; ET-(16-21); Endothelin(16-21); SCHEMBL7996606; DTXSID40923789; BDBM50000565; BDBM50001216; ZINC95611937; Endothelin (16-21) trifluoroacetate salt
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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 |
C39H57N9O9
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)N
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| InChI |
1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
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| InChIKey |
NTSBFTNRWQVBCA-IVGDYKFASA-N
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| PubChem Compound ID | ||||
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