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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB02683
http://purl.obolibrary.org/obo/dinto_DB02683
|
|---|---|
| Preferred Name | inhibitor bea428 |
| Synonyms |
(2S,3R,4R,5S)-3,4-dihydroxy-N,N'-bis[(1R)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(pyridin-3-yl)phenyl]methoxy})hexanediamide
C42H52N6O8
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | inhibitor bea428
|
|---|---|
| label | inhibitor bea428
|
| type | |
| InChIKey | InChIKey=FOBRXMROTNVGST-WNCSSQJPSA-N
|
| Synonym | (2S,3R,4R,5S)-3,4-dihydroxy-N,N'-bis[(1R)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(pyridin-3-yl)phenyl]methoxy})hexanediamide
C42H52N6O8
|
| xref |
PDB:BEJ
PubChem Compound:46936453
ChemSpider:20477304
PubChem Substance:46505774
BindingDB:851
|
| prefixIRI | obo2:dinto_DB02683
|
| related with | |
| SMILES | CNC(=O)[C@H](NC(=O)[C@@H](OCC1=CC=C(C=C1)C1=CC=CN=C1)[C@H](O)[C@@H](O)[C@H](OCC1=CC=C(C=C1)C1=CC=CN=C1)C(=O)N[C@H](C(C)C)C(=O)NC)C(C)C
|
| InChI | InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35-,36-,37+,38+/m1/s1
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |