Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BAH5B1
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| Binder Name |
4-((S)-5-[Bis-(4-benzyloxy-benzyl)-amino]-5-{12-[(R)-2-[bis-(4-benzyloxy-benzyl)-amino]-6-(4-carboxy-butyrylamino)-hexanoylamino]-dodecylcarbamoyl}-pentylcarbamoyl)-butyric acid
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| Synonyms |
CHEMBL437982; BDBM50091847
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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 |
C90H112N6O12
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| Canonical SMILES |
C1=CC=C(C=C1)COC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)OCC4=CC=CC=C4)[C@H](CCCCNC(=O)CCCC(=O)O)C(=O)NCCCCCCCCCCCCNC(=O)[C@H](CCCCNC(=O)CCCC(=O)O)N(CC5=CC=C(C=C5)OCC6=CC=CC=C6)CC7=CC=C(C=C7)OCC8=CC=CC=C8
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| InChI |
1S/C90H112N6O12/c97-85(39-27-41-87(99)100)91-59-25-21-37-83(95(63-71-43-51-79(52-44-71)105-67-75-29-13-9-14-30-75)64-72-45-53-80(54-46-72)106-68-76-31-15-10-16-32-76)89(103)93-61-23-7-5-3-1-2-4-6-8-24-62-94-90(104)84(38-22-26-60-92-86(98)40-28-42-88(101)102)96(65-73-47-55-81(56-48-73)107-69-77-33-17-11-18-34-77)66-74-49-57-82(58-50-74)108-70-78-35-19-12-20-36-78/h9-20,29-36,43-58,83-84H,1-8,21-28,37-42,59-70H2,(H,91,97)(H,92,98)(H,93,103)(H,94,104)(H,99,100)(H,101,102)/t83-,84+
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| InChIKey |
KZFSMGHQTJGNKN-KEHSNIBCSA-N
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| PubChem Compound ID | ||||
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