Tan Lab | DSigDB

Gene Set: D4 : TTD - RGDechi

Collection

D4 : TTD

Chemical Name

RGDechi ( From PubChem : RGDECHI )

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
2060.21 g/mol	29	59	-3.0672	False(1/4)

Structure

InChI

InChI=1S/C84H134N30O29S/c1-41(67(127)111-66(42(2)115)82(142)143)99-78(138)56-18-10-27-112(56)62(120)39-97-70(130)45(14-4-6-23-85)103-74(134)50(31-43-36-92-40-98-43)107-79(139)57-19-12-29-114(57)80(140)53(32-58(88)116)108-68(128)44(87)13-8-26-94-84(91)110-61(119)38-96-77(137)55-17-11-28-113(55)81(141)54(35-65(125)126)109-76(136)52(34-64(123)124)106-73(133)49(22-30-144-3)100-59(117)21-20-48-72(132)104-47(15-5-7-24-86)71(131)102-46(16-9-25-93-83(89)90)69(129)95-37-60(118)101-51(33-63(121)122)75(135)105-48/h36,40-42,44-57,66,115H,4-35,37-39,85-87H2,1-3H3,(H2,88,116)(H,92,98)(H,95,129)(H,96,137)(H,97,130)(H,99,138)(H,100,117)(H,101,118)(H,102,131)(H,103,134)(H,104,132)(H,105,135)(H,106,133)(H,107,139)(H,108,128)(H,109,136)(H,111,127)(H,121,122)(H,123,124)(H,125,126)(H,142,143)(H4,89,90,93)(H3,91,94,110,119)/t41-,42+,44-,45-,46?,47?,48?,49?,50-,51?,52?,53-,54?,55?,56-,57-,66-/m0/s1

InChIKey

IJKGLSUZCFGUEG-ODPTYIPQSA-N

Links

Gene (2 / 2)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Inhibitor			ITGAV			Research target
TTD	Inhibitor			ITGB3			Research target

Download gene sets

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