Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BHMY74
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| Binder Name |
5-[4-[[(5S)-6-[[(2S)-3-(1-Benzyl-3-methylimidazol-1-ium-4-yl)-1-[(1-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]amino]-5-[[2-(2-imino-3-methyl-1,3-thiazol-4-yl)acetyl]amino]-6-oxohexyl]amino]butylsulfamoyl]-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate
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| Synonyms |
CHEMBL3234456; BDBM50009564
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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 |
C63H85N12O9S3+
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| Canonical SMILES |
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCCCNCCCC[C@@H](C(=O)N[C@@H](CC5=C[N+](=CN5C)CC6=CC=CC=C6)C(=O)NC7CCN(CC7)C)NC(=O)CC8=CSC(=N)N8C)S(=O)(=O)[O-]
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| InChI |
1S/C63H84N12O9S3/c1-8-74(9-2)46-22-25-51-56(36-46)84-57-37-47(75(10-3)11-4)23-26-52(57)60(51)53-27-24-50(39-58(53)87(81,82)83)86(79,80)66-32-18-17-31-65-30-16-15-21-54(68-59(76)38-49-42-85-63(64)72(49)7)61(77)69-55(62(78)67-45-28-33-70(5)34-29-45)35-48-41-73(43-71(48)6)40-44-19-13-12-14-20-44/h12-14,19-20,22-27,36-37,39,41-43,45,54-55,64-66H,8-11,15-18,21,28-35,38,40H2,1-7H3,(H2-2,67,68,69,76,77,78,81,82,83)/p+1/t54-,55-/m0/s1
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| InChIKey |
REXLKLUHUFLTNJ-XFSNFYKNSA-O
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| PubChem Compound ID | ||||
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