Tan Lab | DSigDB

Gene Set: D4 : TTD - Ac-I[CV(Bpa)QDWGAHRC]T

Collection

D4 : TTD

Chemical Name

Ac-I[CV(Bpa)QDWGAHRC]T ( From PubChem : AC-I[CV(BPA)QDWGAHRC]T )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
1679.88 g/mol	21	40	3.0414	False(1/4)

Structure

InChI

InChI=1S/C76H102N20O20S2/c1-8-38(4)61(86-41(7)98)74(114)94-56-35-118-117-34-55(72(112)96-62(40(6)97)75(115)116)93-66(106)49(19-14-26-81-76(78)79)87-69(109)53(29-46-32-80-36-84-46)89-64(104)39(5)85-58(100)33-83-65(105)52(28-45-31-82-48-18-13-12-17-47(45)48)90-70(110)54(30-59(101)102)91-67(107)50(24-25-57(77)99)88-68(108)51(92-73(113)60(37(2)3)95-71(56)111)27-42-20-22-44(23-21-42)63(103)43-15-10-9-11-16-43/h9-13,15-18,20-23,31-32,36-40,49-56,60-62,82,97H,8,14,19,24-30,33-35H2,1-7H3,(H2,77,99)(H,80,84)(H,83,105)(H,85,100)(H,86,98)(H,87,109)(H,88,108)(H,89,104)(H,90,110)(H,91,107)(H,92,113)(H,93,106)(H,94,114)(H,95,111)(H,96,112)(H,101,102)(H,115,116)(H4,78,79,81)/t38-,39-,40+,49-,50-,51-,52-,53+,54?,55-,56-,60-,61-,62-/m0/s1

InChIKey

PWSUDTBGJHZYGB-MPCJNSQXSA-N

Links

Gene (1 / 1)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Inhibitor			C3			Research target

Download gene sets

gmt, text, Detailed text

Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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