核苷、核苷酸及其类似物

[³⁵S]ATPγS

技术标识符

IUPAC名称

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate

SMILES

O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=[35S])([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N

InChIKey

NLTUCYMLOPLUHL-RZDQATCLSA-J

InChI

1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/p-4/t4-,6-,7-,10-/m1/s显示更多

[³⁵S]ATPαS

技术标识符

SMILES

OC1C(COP(=[35S])(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N

InChIKey

ROYJKVPBJVNHCQ-KUIAXLJASA-N

InChI

1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/i31+3

[³⁵S]ADPβS

技术标识符

IUPAC名称

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](sulfanylidene)phosphonous acid

SMILES

O[C@@H]1[C@@H](COP(=O)(OP(=[35S])(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N

InChIKey

HCIKUKNAJRJFOW-JWNXZZODSA-N

InChI

1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1/i27+3

关联靶标

P2Y purinoceptor 1

[³³P]2MeSADP

技术标识符

IUPAC名称

[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

SMILES

CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[33P](=O)(O[33P](=O)(O)O)O

InChIKey

WLMZTKAZJUWXCB-JLOOSCHCSA-N

InChI

1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1/i27+2,28+2

关联靶标

P2Y purinoceptor 13

[³H]HEMADO

技术标识符

IUPAC名称

(2R,3R,4S,5R)-2-(2-hex-1-ynyl-6-methylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES

CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO

InChIKey

KOCIMZNSNPOGOP-IWCJZZDYSA-N

InChI

1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1

关联靶标

Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3

[³H]PSB-0413

技术标识符

IUPAC名称

[[[[(2R,3S,4R,5R)-5-[6-amino-2-(2,2,3,3,3-pentatritiopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid

SMILES

O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(SCC(C([3H])([3H])[3H])([3H])[3H])nc2N)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O

InChIKey

ZLIAJZQKKBOFJR-WNJXVAICSA-N

InChI

1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,2显示更多

关联靶标

P2Y purinoceptor 12

[³H]NECA

技术标识符

IUPAC名称

(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

SMILES

CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N

InChIKey

JADDQZYHOWSFJD-FLNNQWSLSA-N

InChI

1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1

关联靶标

Endoplasmin, Transmembrane domain-containing protein TMIGD3, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3

UDP-β-S

技术标识符

IUPAC名称

dihydroxyphosphinothioyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

SMILES

O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChIKey

HFPQTPQWHHTLHT-XVFCMESISA-N

InChI

1S/C9H14N2O11P2S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-20-23(16,17)22-24(18,19)25/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,25)/t4-,6-,7-,8-/m1/s1

关联靶标

P2Y purinoceptor 6

UDP

技术标识符

IUPAC名称

[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

SMILES

O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChIKey

XCCTYIAWTASOJW-XVFCMESISA-N

InChI

1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

关联靶标

Uracil nucleotide/cysteinyl leukotriene receptor, ATP-sensitive inward rectifier potassium channel 8, P2Y purinoceptor 6, P2Y purinoceptor 14

UTPγS

技术标识符

IUPAC名称

(dihydroxyphosphinothioyloxy-hydroxyphosphoryl) [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

SMILES

O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChIKey

DUDALCZPYHIGIR-XVFCMESISA-N

InChI

1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1

关联靶标

P2Y purinoceptor 2, P2Y purinoceptor 4

Up₃U

技术标识符

IUPAC名称

[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

SMILES

O[C@@H]1[C@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[O-])O[C@H](C1O)n1ccc(=O)[nH]c1=O

InChIKey

JPNWHMPVXHYIKN-VRXVDWQRSA-K

InChI

1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)显示更多

关联靶标

P2Y purinoceptor 6

Sp-cAMPS

技术标识符

IUPAC名称

6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

SMILES

OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N

InChIKey

SMPNJFHAPJOHPP-UHFFFAOYSA-N

InChI

1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)

关联靶标

cAMP-dependent protein kinase type I-alpha regulatory subunit, cAMP-dependent protein kinase type II-alpha regulatory subunit, cAMP-dependent protein kinase catalytic subunit beta, cAMP-dependent protein kinase catalytic subunit gamma, cAMP-dependent protein kinase type I-beta regulatory subunit, cAMP-dependent protein kinase type II-beta regulatory subunit, cAMP-dependent protein kinase catalytic subunit alpha