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Gene Set: D4 : TTD - W-F-F-N--Y-Y-W


Collection D4 : TTD
Chemical Name W-F-F-N--Y-Y-W ( From PubChem : CHEMBL413880 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1126.22 g/mol 13 19 6.6575 False(0/4)
Structure
InChI InChI=1S/C62H63N9O12/c63-55(74)33-52(70-58(77)49(28-37-13-5-2-6-14-37)67-56(75)48(27-36-11-3-1-4-12-36)66-53(61(80)81)31-40-34-64-46-17-9-7-15-44(40)46)60(79)69-50(29-38-19-23-42(72)24-20-38)57(76)68-51(30-39-21-25-43(73)26-22-39)59(78)71-54(62(82)83)32-41-35-65-47-18-10-8-16-45(41)47/h1-26,34-35,48-54,64-66,72-73H,27-33H2,(H2,63,74)(H,67,75)(H,68,76)(H,69,79)(H,70,77)(H,71,78)(H,80,81)(H,82,83)/t48-,49-,50-,51-,52-,53+,54-/m0/s1
InChIKey NXCOTRHNIBGFLM-ZYWWURNJSA-N
Links

Gene (2 / 2)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorEDNRASuccessful target
TTDInhibitorEDNRBSuccessful target
Download gene sets gmt, text, Detailed text
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