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


Collection D4 : TTD
Chemical Name [N40,Pro1,Tyr4]BB ( From PubChem : [N40,PRO1,TYR4]BB )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1856.16 g/mol 26 46 3.1078 False(1/4)
Structure
InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1
InChIKey WPAOEAXJLCSDBY-UKYQNQGLSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorGRPRClinical trial target
Download gene sets gmt, text, Detailed text
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