Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BT8QD1
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| Binder Name |
(3S,6S,10As)-N-[(S)-[1-[4-[4-[4-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
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| Synonyms |
CHEMBL1774155; BDBM50343514
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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 |
C80H94N16O8
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| Canonical SMILES |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](C5=CC=CC=C5)C6=CN(N=N6)CCCCC7=CC=C(C=C7)CCCCN8C=C(N=N8)[C@H](C9=CC=CC=C9)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CCCC2)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C
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| InChI |
1S/C80H94N16O8/c1-51(97)83-67(45-57-47-81-63-31-15-11-29-61(57)63)75(99)85-65-33-13-9-27-59-39-41-71(95(59)79(65)103)77(101)87-73(55-23-5-3-6-24-55)69-49-93(91-89-69)43-19-17-21-53-35-37-54(38-36-53)22-18-20-44-94-50-70(90-92-94)74(56-25-7-4-8-26-56)88-78(102)72-42-40-60-28-10-14-34-66(80(104)96(60)72)86-76(100)68(84-52(2)98)46-58-48-82-64-32-16-12-30-62(58)64/h3-8,11-12,15-16,23-26,29-32,35-38,47-50,59-60,65-68,71-74,81-82H,9-10,13-14,17-22,27-28,33-34,39-46H2,1-2H3,(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,102)/t59-,60-,65-,66-,67-,68-,71-,72-,73-,74-/m0/s1
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| InChIKey |
KCRWCGKTNLNFIB-VUHFQLKMSA-N
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| PubChem Compound ID | ||||
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