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Gene Set: D4 : TTD - Pen(Acm)AQFRKEKETFC(Acm)-OH

Collection D4 : TTD
Chemical Name Pen(Acm)AQFRKEKETFC(Acm)-OH ( From PubChem : CHEMBL412929 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1487.7 g/mol 21 39 2.1375 False(1/4)
Structure
InChI InChI=1S/C64H98N18O19S2/c1-34-52(89)73-42(21-24-48(68)84)58(95)79-45(30-36-14-5-3-6-15-36)60(97)76-41(20-13-29-71-64(69)70)56(93)74-39(18-9-11-27-65)54(91)77-43(22-25-49(85)86)57(94)75-40(19-10-12-28-66)55(92)78-44(23-26-50(87)88)59(96)82-51(35(2)83)62(99)80-46(31-37-16-7-4-8-17-37)61(98)81-47(63(100)101)33-103-102-32-38(67)53(90)72-34/h3-8,14-17,34-35,38-47,51,83H,9-13,18-33,65-67H2,1-2H3,(H2,68,84)(H,72,90)(H,73,89)(H,74,93)(H,75,94)(H,76,97)(H,77,91)(H,78,92)(H,79,95)(H,80,99)(H,81,98)(H,82,96)(H,85,86)(H,87,88)(H,100,101)(H4,69,70,71)/t34-,35-,38-,39-,40-,41+,42+,43+,44+,45-,46+,47+,51?/m1/s1
InChIKey IYWWTDYPQATACO-RUMXHQIHSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorCD2Successful target
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