Tan Lab | DSigDB

Gene Set: D4 : TTD - [N40,Pro1,Tyr4,Nle 14]BB

Collection

D4 : TTD

Chemical Name

[N40,Pro1,Tyr4,Nle 14]BB ( From PubChem : [N40,PRO1,TYR4,NLE 14]BB )

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
1838.12 g/mol	26	45	3.5449	False(1/4)

Structure

InChI

InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1

InChIKey

KQHZZRQJOXXKSD-LJBQZBCTSA-N

Links

Gene (1 / 1)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Inhibitor			GRPR			Clinical trial target

Download gene sets

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