Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B0MK9C
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| Binder Name |
(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Synonyms |
CHEMBL2382019
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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 |
C85H112N20O11
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)O)NC(=O)[C@H](CCCCN)N
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| InChI |
1S/C85H112N20O11/c86-36-16-11-26-61(91)76(106)101-71(41-51-46-92-62-27-6-1-21-56(51)62)81(111)97-67(32-12-17-37-87)77(107)102-72(42-52-47-93-63-28-7-2-22-57(52)63)82(112)98-68(33-13-18-38-88)78(108)103-73(43-53-48-94-64-29-8-3-23-58(53)64)83(113)99-69(34-14-19-39-89)79(109)104-74(44-54-49-95-65-30-9-4-24-59(54)65)84(114)100-70(35-15-20-40-90)80(110)105-75(85(115)116)45-55-50-96-66-31-10-5-25-60(55)66/h1-10,21-25,27-31,46-50,61,67-75,92-96H,11-20,26,32-45,86-91H2,(H,97,111)(H,98,112)(H,99,113)(H,100,114)(H,101,106)(H,102,107)(H,103,108)(H,104,109)(H,105,110)(H,115,116)/t61-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
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| InChIKey |
IXXVJXYPZASHND-DYISXROESA-N
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| PubChem Compound ID | ||||
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