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Gene Set: D4 : TTD - GPYRMEHFRWGSPPKD-NH2


Collection D4 : TTD
Chemical Name GPYRMEHFRWGSPPKD-NH2 ( From PubChem : GPYRMEHFRWGSPPKD-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
1959.19 g/mol 25 48 2.4609 False(1/4)
Structure
InChI InChI=1S/C89H127N27O22S/c1-139-37-30-60(107-76(127)57(19-9-32-98-88(93)94)104-82(133)63(39-50-24-26-53(118)27-25-50)113-84(135)67-21-11-34-114(67)71(120)43-91)80(131)106-59(28-29-72(121)122)79(130)112-65(41-52-45-97-48-102-52)83(134)110-62(38-49-14-3-2-4-15-49)81(132)105-58(20-10-33-99-89(95)96)78(129)111-64(40-51-44-100-55-17-6-5-16-54(51)55)75(126)101-46-70(119)103-66(47-117)86(137)116-36-13-23-69(116)87(138)115-35-12-22-68(115)85(136)108-56(18-7-8-31-90)77(128)109-61(74(92)125)42-73(123)124/h2-6,14-17,24-27,44-45,48,56-69,100,117-118H,7-13,18-23,28-43,46-47,90-91H2,1H3,(H2,92,125)(H,97,102)(H,101,126)(H,103,119)(H,104,133)(H,105,132)(H,106,131)(H,107,127)(H,108,136)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,135)(H,121,122)(H,123,124)(H4,93,94,98)(H4,95,96,99)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKey XQMPAWYRHAOJTE-JLQTWWGSSA-N
Links

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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