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Gene Set: D4 : TTD - Bbs-Arg-(D-Pip)-Gly-S-(GS)1-Gly-Hir

Collection D4 : TTD
Chemical Name Bbs-Arg-(D-Pip)-Gly-S-(GS)1-Gly-Hir ( From PubChem : CHEMBL439881 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
2220.37 g/mol 28 57 2.0866 False(1/4)
Structure
InChI InChI=1S/C98H142N22O35S/c1-8-52(4)81(95(151)120-41-15-20-71(120)93(149)112-60(32-37-78(132)133)85(141)109-59(31-36-77(130)131)86(142)115-66(44-54-21-25-56(123)26-22-54)90(146)114-64(42-51(2)3)88(144)113-63(96(152)153)29-34-72(99)124)117-87(143)61(33-38-79(134)135)110-84(140)58(30-35-76(128)129)111-89(145)65(43-53-16-10-9-11-17-53)116-91(147)67(45-80(136)137)106-73(125)46-103-82(138)68(49-121)107-74(126)47-104-83(139)69(50-122)108-75(127)48-105-92(148)70-19-12-13-40-119(70)94(150)62(18-14-39-102-97(100)101)118-156(154,155)57-27-23-55(24-28-57)98(5,6)7/h9-11,16-17,21-28,51-52,58-71,81,118,121-123H,8,12-15,18-20,29-50H2,1-7H3,(H2,99,124)(H,103,138)(H,104,139)(H,105,148)(H,106,125)(H,107,126)(H,108,127)(H,109,141)(H,110,140)(H,111,145)(H,112,149)(H,113,144)(H,114,146)(H,115,142)(H,116,147)(H,117,143)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,152,153)(H4,100,101,102)/t52-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,81-/m0/s1
InChIKey UHXXZAFTLUMNIB-KZKSJJABSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorF2Successful target
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