P2Y受体
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MRS 2578,P2Y6拮抗剂CAS号 : 711019-86-2 Compound CID : 16078986分子式: C20H20N6S4 分子量: 472.67IUPAC Name: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thioureaSMILES: C1=CC(=CC(=C1)N=C=S)NC(=S)NCCCCNC(=S)NC2=CC(=CC=C2)N=C=SInChIKey: QOHNRGHTJPFMSL-UHFFFAOYSA-NInChI: InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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替卡格雷CAS号 : 274693-27-5 Compound CID : 9871419分子式: C23H28F2N6O4S 分子量: 522.57IUPAC Name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diolSMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)FInChIKey: OEKWJQXRCDYSHL-FNOIDJSQSA-NInChI: InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
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腺苷 5′-二磷酸 (ADP)分子式: C10H15N5O10P2 分子量: 427.2IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateSMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3OInChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-NInChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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2'-脱氧腺苷5'-三磷酸[dATP]三钠盐水合物CAS号 : 1927-31-7分子式: C10H13N5Na3O12P3(anhydrous) 分子量: 557.13(anhydrous)IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]InChIKey: SUYVUBYJARFZHO-RRKCRQDMSA-NInChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
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PPADS TetrasodiumCAS号 : 149017-66-3 Compound CID : 4881分子式: C14H10N3Na4O12PS2·6H2O 分子量: 707.39IUPAC Name: 4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acidSMILES: CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)OInChIKey: PNFZSRRRZNXSMF-UHFFFAOYSA-NInChI: InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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MRS 2179,P2Y1拮抗剂CAS号 : 101204-49-3 Compound CID : 5311303分子式: C11H17N5O9P2.xNH3IUPAC Name: [(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphateSMILES: CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)OInChIKey: CCPLITQNIFLYQB-XLPZGREQSA-NInChI: InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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PSB 0739,P2Y12拮抗剂CAS号 : 1052087-90-7 Compound CID : 44583582分子式: C26H17N3Na2O8S2 分子量: 609.54IUPAC Name: disodium;1-amino-4-(4-anilino-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonateSMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]InChIKey: QBLLYXXXOJUNCV-UHFFFAOYSA-LInChI: InChI=1S/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
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1-氨基-4-(4-氯苯基)氨基蒽醌-2-磺酸钠盐(PSB 1114)CAS号 : 1657025-60-9 Compound CID : 52952605分子式: C₁₀H₁₁F₂N₂Na₄O₁₃P₃S 分子量: 622.14IUPAC Name: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acidSMILES: C1=CN(C(=O)NC1=S)C2C(C(C(O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)OInChIKey: DFGBPSGNGNHNQM-XVFCMESISA-NInChI: InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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PIT,Purinergic P2Y受体配体CAS号 : 56583-49-4 Compound CID : 124333分子式: C13H8N2O2.C7H8O3S 分子量: 396.42IUPAC Name: 4-methylbenzenesulfonic acid;1-oxido-2-pyridin-2-ylindol-1-ium-3-oneSMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3InChIKey: MMPTYEXNPWSTOR-UHFFFAOYSA-NInChI: InChI=1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)
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NF 546,P2Y11激动剂CAS号 : 1006028-37-0 Compound CID : 90488895分子式: C47H44N6Na4O17P4 分子量: 1180.74IUPAC Name: tetrasodium;[2-[[3-[[3-[[3-[[5-[[2,4-bis[[hydroxy(oxido)phosphoryl]methyl]phenyl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5-[[hydroxy(oxido)phosphoryl]methyl]phenyl]methyl-hydroxyphosphinateSMILES: CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)[O-])CP(=O)(O)[O-])NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)CP(=O)(O)[O-])CP(=O)(O)[O-])C.[Na+].[Na+].[Na+].[Na+]InChIKey: GSMUPMANKNAMAS-UHFFFAOYSA-JInChI: InChI=1S/C47H48N6O17P4.4Na/c1-27-9-13-33(45(56)50-39-15-11-29(23-71(59,60)61)17-35(39)25-73(65,66)67)21-41(27)52-43(54)31-5-3-7-37(19-31)48-47(58)49-38-8-4-6-32(20-38)44(55)53-42-22-34(14-10-28(42)2)46(57)51-40-16-12-30(24-72(62,63)64)18-36(40)26-74(68,69)70;;;;/h3-22H,23-26H2,1-2H3,(H,50,56)(H,51,57)(H,52,54)(H,53,55)(H2,48,49,58)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70);;;;/q;4*+1/p-4
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BPTU,P2Y1别构拮抗剂CAS号 : 870544-59-5 Compound CID : 11510579分子式: C23H22F3N3O3 分子量: 445.43IUPAC Name: 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]ureaSMILES: CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)FInChIKey: AHFLGPTXSIRAQK-UHFFFAOYSA-NInChI: InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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AZD 1283,P2Y12拮抗剂CAS号 : 919351-41-0 Compound CID : 23649325分子式: C23H26N4O5S 分子量: 470.54IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylateSMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CInChIKey: NEMHKCNXXRQYRF-UHFFFAOYSA-NInChI: InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)