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BOP, Antagonist of integrin α4β1;Antagonist of integrin; alpha 9 subunitCas#: 217453-20-8 Compound CID: 10301396SMILES: OC(=O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1InChIKey: MGKZYWCSUHALDJ-VXKWHMMOSA-NInChI: InChI=1S/C25H29N3O7S/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31)/t21-,22-/m0/s1Synonyms: compound 2;compound 3;N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine
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E2078, Agonist of κ receptorCas#: 103613-84-9 Compound CID: 122220IUPAC Name: (2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-methylamino]pentanoyl]amino]-N-ethyl-4-methylpentanamideSMILES: CCNC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N(C)C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NCInChIKey: JENWDDCMEATQSR-ONSKYXJOSA-NInChI: InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1Synonyms: 103613-84-9|E-2078|E 2078|N-Methyltyrosyl-glycyl-glycyl-phenylalanyl-leucyl-arginyl-N-methyl-arginyl-leucyl ethylamid...
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GsMTx-4, Channel blocker of TRPC1;Channel blocker of TRPC5;Channel blocker of TRPC6Synonyms: M-theraphotoxin-Gr1a;M-TRTX-Gr1a;MTx4;Toxin GsMTx-4
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TFLLR-NH₂, Agonist of PAR1SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)N)CC(C)C)CInChIKey: ANAMCEKSRDPIPX-GFGQVAFXSA-NInChI: InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)/t19-,21+,22+,23+,24+,25+/m1/s1Synonyms: PEPTIDE1{T.F.L.L.R.[am]}$$$$;Thr-Phe-Leu-Leu-Arg-amide
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[³H]haTRAP, Agonist of PAR1Synonyms: [³H]-haTRAP;Ala-p-fluoroPhe-Ala-Arg-cyclohexylAla-homoArg-[³H]Tyr-amide
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dynorphin-(1-11), Agonist of δ receptor;Agonist of κ receptor;Agonist of μ receptorSMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)OInChIKey: WZHQALIQGVYQGG-QFIUEGLPSA-NInChI: InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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difelikefalin, Kappa opioid receptor agonistCas#: 1024828-77-0 Compound CID: 24794466Formula: C36H53N7O6 Molecular Weight: 679.8IUPAC Name: 4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acidSMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NInChIKey: FWMNVWWHGCHHJJ-SKKKGAJSSA-NInChI: InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1Synonyms: 4-Piperidinecarboxylic acid, 4-amino-1-((2R)-6-amino-2-(((2R)-2-(((2R)-2-(((2R)-2-amino-1-oxo-3-phenylpropyl)amino)-1...
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zyklophin, Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptorSMILES: NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NCc2ccccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(CC)C)CCCN=C(N)N)CCCN=C(N)NInChIKey: UWLIKQFWZOPOAX-HRFULILYSA-NInChI: InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
