Tan Lab | DSigDB

Gene Set: D4 : TTD - Insulin-aspart

Collection

D4 : TTD

Chemical Name

Insulin-aspart ( From PubChem : NOVORAPID )

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
5831.59 g/mol	86	148	4.6377	False(1/4)

Structure

InChI

InChI=1S/C157H232N40O44S2.C99H155N25O35S4/c1-77(2)54-102(180-130(214)84(15)172-135(219)101(48-51-123(210)211)179-152(236)126(82(11)12)194-149(233)105(57-80(7)8)183-145(229)111(64-93-68-165-76-171-93)188-151(235)114(72-198)175-121(207)71-169-133(217)115(73-242)191-140(224)103(55-78(3)4)181-144(228)110(63-92-67-164-75-170-92)187-137(221)100(46-49-117(160)203)178-146(230)112(65-118(161)204)189-153(237)125(81(9)10)193-131(215)96(159)58-87-30-21-18-22-31-87)139(223)184-108(61-90-38-42-94(201)43-39-90)142(226)182-104(56-79(5)6)148(232)195-127(83(13)14)154(238)192-116(74-243)134(218)168-69-119(205)173-99(47-50-122(208)209)136(220)176-97(37-29-53-166-157(162)163)132(216)167-70-120(206)174-106(59-88-32-23-19-24-33-88)141(225)185-107(60-89-34-25-20-26-35-89)143(227)186-109(62-91-40-44-95(202)45-41-91)150(234)196-128(85(16)199)155(239)190-113(66-124(212)213)147(231)177-98(36-27-28-52-158)138(222)197-129(86(17)200)156(240)241;1-12-46(9)77(121-73(134)36-100)97(156)122-76(45(7)8)95(154)108-56(25-29-75(137)138)80(139)105-54(23-27-70(102)131)83(142)117-66(40-161)93(152)119-68(42-163)94(153)124-79(48(11)127)98(157)116-64(38-126)90(149)123-78(47(10)13-2)96(155)120-67(41-162)92(151)115-63(37-125)89(148)110-58(31-44(5)6)85(144)111-59(32-49-14-18-51(128)19-15-49)86(145)106-53(22-26-69(101)130)81(140)109-57(30-43(3)4)84(143)107-55(24-28-74(135)136)82(141)113-61(34-71(103)132)88(147)112-60(33-50-16-20-52(129)21-17-50)87(146)118-65(39-160)91(150)114-62(99(158)159)35-72(104)133/h18-26,30-35,38-45,67-68,75-86,96-116,125-129,198-202,242-243H,27-29,36-37,46-66,69-74,158-159H2,1-17H3,(H2,160,203)(H2,161,204)(H,164,170)(H,165,171)(H,167,216)(H,168,218)(H,169,217)(H,172,219)(H,173,205)(H,174,206)(H,175,207)(H,176,220)(H,177,231)(H,178,230)(H,179,236)(H,180,214)(H,181,228)(H,182,226)(H,183,229)(H,184,223)(H,185,225)(H,186,227)(H,187,221)(H,188,235)(H,189,237)(H,190,239)(H,191,224)(H,192,238)(H,193,215)(H,194,233)(H,195,232)(H,196,234)(H,197,222)(H,208,209)(H,210,211)(H,212,213)(H,240,241)(H4,162,163,166);14-21,43-48,53-68,76-79,125-129,160-163H,12-13,22-42,100H2,1-11H3,(H2,101,130)(H2,102,131)(H2,103,132)(H2,104,133)(H,105,139)(H,106,145)(H,107,143)(H,108,154)(H,109,140)(H,110,148)(H,111,144)(H,112,147)(H,113,141)(H,114,150)(H,115,151)(H,116,157)(H,117,142)(H,118,146)(H,119,152)(H,120,155)(H,121,134)(H,122,156)(H,123,149)(H,124,153)(H,135,136)(H,137,138)(H,158,159)/t84-,85+,86+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-;46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-,77-,78-,79-/m00/s1

InChIKey

VOMXSOIBEJBQNF-UTTRGDHVSA-N

Links

Gene (1 / 1)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Drug(s)			INSR			Successful target

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