Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BAN51E
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| Binder Name |
Benzyl (2S)-2-[[(2S)-5-[[2-[[9-[4-[methyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]butylamino]-5,6,7,8-tetrahydroacridin-4-yl]amino]-2-oxoethyl]amino]-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]-3-phenylpropanoate
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| Synonyms |
CHEMBL3099500; BDBM50005188
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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 |
C67H78N10O8
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| Canonical SMILES |
CN(CCCCNC1=C2CCCCC2=NC3=C1C=CC=C3NC(=O)CNC(=O)CC[C@@H](C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)NC(=O)CNC(=O)OCC6=CC=CC=C6)CCCNC7=C8CCCCC8=NC9=CC=CC=C97
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| InChI |
1S/C67H78N10O8/c1-77(40-20-38-69-62-49-27-11-14-31-53(49)72-54-32-15-12-28-50(54)62)39-18-17-37-68-63-51-29-13-16-33-55(51)75-64-52(63)30-19-34-56(64)73-60(79)42-70-59(78)36-35-57(74-61(80)43-71-67(83)85-45-48-25-9-4-10-26-48)65(81)76-58(41-46-21-5-2-6-22-46)66(82)84-44-47-23-7-3-8-24-47/h2-11,14,19,21-27,30-31,34,57-58H,12-13,15-18,20,28-29,32-33,35-45H2,1H3,(H,68,75)(H,69,72)(H,70,78)(H,71,83)(H,73,79)(H,74,80)(H,76,81)/t57-,58-/m0/s1
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| InChIKey |
IPFFEMHJNMAEKB-YQOHNZFASA-N
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| PubChem Compound ID | ||||
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