Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4VJ6B
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| Binder Name |
{(S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl]-1-[5-(3-cyclohexyl-propyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester
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| Synonyms |
CHEMBL65844; BDBM50103049
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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 |
C46H56N3O9PS
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)OCC2=CC=CC=C2)C(=O)NC3C(SC4=CC=CC=C4N(C3=O)CCCC5CCCCC5)C6=CC=C(C=C6)OC
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| InChI |
1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
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| InChIKey |
NLPGZVVZXQHRSG-GWBBUULUSA-N
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| PubChem Compound ID | ||||
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