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Gene Set: D4 : TTD - GWTLNSAGYLLGPHAV-NH2

Collection D4 : TTD
Chemical Name GWTLNSAGYLLGPHAV-NH2 ( From PubChem : CHEMBL508083 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1654.87 g/mol 22 39 1.7035 False(1/4)
Structure
InChI InChI=1S/C77H115N21O20/c1-37(2)23-50(68(109)84-34-62(105)98-22-14-17-58(98)76(117)93-55(28-46-32-81-36-85-46)69(110)87-42(10)67(108)96-63(40(7)8)65(80)106)90-70(111)51(24-38(3)4)91-72(113)53(26-44-18-20-47(101)21-19-44)89-61(104)33-83-66(107)41(9)86-75(116)57(35-99)95-73(114)56(29-59(79)102)92-71(112)52(25-39(5)6)94-77(118)64(43(11)100)97-74(115)54(88-60(103)30-78)27-45-31-82-49-16-13-12-15-48(45)49/h12-13,15-16,18-21,31-32,36-43,50-58,63-64,82,99-101H,14,17,22-30,33-35,78H2,1-11H3,(H2,79,102)(H2,80,106)(H,81,85)(H,83,107)(H,84,109)(H,86,116)(H,87,110)(H,88,103)(H,89,104)(H,90,111)(H,91,113)(H,92,112)(H,93,117)(H,94,118)(H,95,114)(H,96,108)(H,97,115)/t41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-/m0/s1
InChIKey QWMBNRVWDTXENF-LJQDGMHUSA-N
Links

Gene (2 / 2)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGALR1Research target
TTDInhibitorGALR2Research target
Download gene sets gmt, text, Detailed text
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