Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BFTO82
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| Binder Name |
(2S,3S)-2-[[(3S,6S,9S,12S,15S)-3-Benzyl-6-(1H-indol-3-ylmethyl)-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
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| Synonyms |
CHEMBL377360; Brunsvicamide A; BDBM50192336
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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 |
C45H64N8O8
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)C)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
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| InChI |
1S/C45H64N8O8/c1-8-28(6)38(44(59)60)52-45(61)50-33-20-14-15-21-46-39(54)34(23-29-16-10-9-11-17-29)48-41(56)36(24-30-25-47-32-19-13-12-18-31(30)32)53(7)43(58)35(22-26(2)3)49-42(57)37(27(4)5)51-40(33)55/h9-13,16-19,25-28,33-38,47H,8,14-15,20-24H2,1-7H3,(H,46,54)(H,48,56)(H,49,57)(H,51,55)(H,59,60)(H2,50,52,61)/t28-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
QOCMZEOVWQAOFT-XYISZGLCSA-N
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| PubChem Compound ID | ||||
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