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AF12198, Antagonist of Interleukin-1 receptor; type I;Antagonist of Interleukin-2 receptorCas#: 185413-30-3 Compound CID: 16135237Formula: C96H123N19O22 Molecular Weight: 1895.12IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidSMILES: CC(C)CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCN3C(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)C7CCCN7C(=O)C(C(C)O)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CInChIKey: VASLMBMCJADVGR-XQDBXYBUSA-NInChI: InChI=1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-26-57)110-93(134)78-37-40-115(78)94(135)68(33-35-79(97)120)106-88(129)72(45-58-27-31-62(119)32-28-58)108-89(130)73(46-59-48-99-65-21-13-11-19-63(59)65)104-80(121)50-101-91(132)76-23-15-39-114(76)96(137)82(54(6)116)112-90(131)74(47-60-49-100-66-22-14-12-20-64(60)66)109-85(126)67(34-36-81(122)123)105-87(128)70(103-55(7)117)43-56-17-9-8-10-18-56/h8-14,17-22,25-32,48-49,51-54,67-78,82,99-100,116,118-119H,15-16,23-24,33-47,50H2,1-7H3,(H2,97,120)(H2,98,124)(H,101,132)(H,102,127)(H,103,117)(H,104,121)(H,105,128)(H,106,129)(H,107,133)(H,108,130)(H,109,126)(H,110,134)(H,111,125)(H,112,131)(H,122,123)/t53-,54+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/m0/s1
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M65, Antagonist of PAC 1 receptorSynonyms: des-(Gln²⁵-Gln⁴¹)-maxadilan;maxadilan δ25-41
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PG 97-269, Antagonist of PAC 1 receptor;Antagonist of VPAC 1 receptor;Antagonist of VPAC 2 receptorSMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=OInChIKey: ATUJPFYFVOFWAC-MVAHIZQLSA-NInChI: InChI=1S/C150H246N44O38/c1-21-82(16)119(146(231)178-99(121(156)206)59-75(2)3)193-141(226)110(70-116(204)205)184-129(214)98(51-52-113(154)200)177-132(217)100(60-76(4)5)181-134(219)101(61-77(6)7)179-127(212)93(42-29-32-54-152)172-125(210)95(44-34-56-164-148(157)158)171-122(207)83(17)169-142(227)111(72-195)189-135(220)102(62-78(8)9)180-128(213)97(46-36-58-166-150(161)162)174-124(209)92(41-28-31-53-151)175-133(218)103(63-79(10)11)186-145(230)118(81(14)15)192-130(215)94(43-30-33-55-153)173-126(211)96(45-35-57-165-149(159)160)176-136(221)105(66-89-47-49-91(199)50-48-89)183-143(228)112(73-196)190-139(224)108(68-114(155)201)188-147(232)120(85(19)197)194-140(225)106(65-88-39-26-23-27-40-88)187-144(229)117(80(12)13)191-123(208)84(18)168-131(216)109(69-115(202)203)185-137(222)104(64-87-37-24-22-25-38-87)182-138(223)107(170-86(20)198)67-90-71-163-74-167-90/h22-27,37-40,47-50,71,74-85,92-112,117-120,195-197,199H,21,28-36,41-46,51-70,72-73,151-153H2,1-20H3,(H2,154,200)(H2,155,201)(H2,156,206)(H,163,167)(H,168,216)(H,169,227)(H,170,198)(H,171,207)(H,172,210)(H,173,211)(H,174,209)(H,175,218)(H,176,221)(H,177,217)(H,178,231)(H,179,212)(H,180,213)(H,181,219)(H,182,223)(H,183,228)(H,184,214)(H,185,222)(H,186,230)(H,187,229)(H,188,232)(H,189,220)(H,190,224)(H,191,208)(H,192,215)(H,193,226)(H,194,225)(H,202,203)(H,204,205)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t82-,83-,84-,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1
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PG 99-465, Agonist of PAC 1 receptor;Agonist of VPAC 1 receptor;Agonist of VPAC 2 receptor;Antagonist of VPAC 2 receptorSynonyms: Myr-His¹[Lys¹²,Lys²⁷'²⁸,Gly²⁹'³⁰,Thr³¹]VIP;PG99-465
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[Lys¹⁵,Arg¹⁶,Leu²⁷>]VIP-(1-7)/GRF-(8-27)-NH₂, Agonist of PAC 1 receptor;Agonist of VPAC 1 receptor;Agonist of VPAC 2 receptorSynonyms: [K¹⁵, Arg¹⁶, Leu²⁷]VIP(1-7)/GRF(8-27)
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anakinra, Inhibitor of Interleukin-1 receptor; type ICas#: 143090-92-0
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Ro 25-1553, Agonist of PAC 1 receptor;Agonist of VPAC 1 receptor;Agonist of VPAC 2 receptorCas#: 159427-08-4 Compound CID: 16131327SMILES: CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCCN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CC(C)C)CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)OC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)NC(=O)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C(C)C)NSynonyms: Ac-His¹[Glu⁸,Lys¹²,Nle¹⁷,Ala¹⁹,Asp²⁵,Leu²⁶,Lys²⁷'²⁸,Gly²⁹'³⁰,Thr³¹]VIP-NH2(cyclo 21-25);Ro 251553;Ro-251553
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