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Gene Set: D4 : TTD - Ac-YR[CEHdFRWC]SPPKD-NH2


Collection D4 : TTD
Chemical Name Ac-YR[CEHdFRWC]SPPKD-NH2 ( From PubChem : AC-YR[CEHDFRWC]SPPKD-NH2 )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1863.09 g/mol 24 46 2.5308 False(1/4)
Structure
InChI InChI=1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54-,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/s1
InChIKey PPKIGEMCDOLKEY-AURDXFKRSA-N
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Gene (3 / 3)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorMC1RResearch target
TTDInhibitorMC3RResearch target
TTDInhibitorMC4RClinical trial target
Download gene sets gmt, text, Detailed text
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