α氨基酸及其衍生物

[³H]valsartan

技术标识符

IUPAC名称

(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

SMILES

CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1

InChIKey

ACWBQPMHZXGDFX-QFIPXVFZSA-N

InChI

1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1

关联靶标

Type-1 angiotensin II receptor

[³H]meclinertant

技术标识符

IUPAC名称

2-[[5-[2,6-bis(tritritiomethoxy)phenyl]-1-(7-chloroquinolin-4-yl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid

SMILES

Clc1ccc2c(c1)nccc2n1nc(cc1c1c(cccc1OC([3H])([3H])[3H])OC([3H])([3H])[3H])C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3

InChIKey

DYLJVOXRWLXDIG-VQBNBCTGSA-N

InChI

1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/显示更多

关联靶标

Neurotensin receptor type 1

[³H]pemetrexed

技术标识符

IUPAC名称

2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid

SMILES

OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N

InChIKey

WBXPDJSOTKVWSJ-UHFFFAOYSA-N

InChI

1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)

关联靶标

Proton-coupled folate transporter

[³H]nelivaptan

技术标识符

IUPAC名称

(2S,4R)-1-[(3R)-1-[2,4-bis(tritritiomethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

SMILES

COc1ccccc1[C@]1(N2C[C@@H](C[C@H]2C(=O)N(C)C)O)c2cc(Cl)ccc2N(C1=O)S(=O)(=O)c1ccc(cc1OC([3H])([3H])[3H])OC([3H])([3H])[3H]

InChIKey

NJXZWIIMWNEOGJ-KGKCFUOPSA-N

InChI

1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m显示更多

关联靶标

Vasopressin V1b receptor

[³H]AMPA

技术标识符

IUPAC名称

2-amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid

SMILES

OC(=O)C(Cc1c(C)o[nH]c1=O)N

InChIKey

UUDAMDVQRQNNHZ-UHFFFAOYSA-N

InChI

1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)

关联靶标

Glutamate receptor 4, Glutamate receptor ionotropic, kainate 1, Glutamate receptor 2, Glutamate receptor 3, Glutamate receptor 1

[³H]-TCS 1102

技术标识符

SMILES

O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1

InChIKey

YSBGRVXJEMSEQY-DEOSSOPVSA-N

InChI

1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1

关联靶标

Orexin receptor type 1, Orexin receptor type 2

[³H]CGP39653

技术标识符

IUPAC名称

2-amino-4-(phosphonomethyl)hept-3-enoic acid

SMILES

CCCC(=CC(C(=O)O)N)CP(=O)(O)O

InChIKey

ZEFQYTSQDVUMEU-UHFFFAOYSA-N

InChI

1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)

关联靶标

Glutamate receptor ionotropic, NMDA 1, Glutamate receptor ionotropic, NMDA 2A, Glutamate receptor ionotropic, NMDA 2B, Glutamate receptor ionotropic, NMDA 2C, Glutamate receptor ionotropic, NMDA 2D

[³H]AP4

技术标识符

IUPAC名称

(2S)-2-amino-4-phosphonobutanoic acid

SMILES

OC(=O)[C@H](CCP(=O)(O)O)N

InChIKey

DDOQBQRIEWHWBT-VKHMYHEASA-N

InChI

1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

关联靶标

Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 8

[³H]CGS19755

技术标识符

IUPAC名称

4-(phosphonomethyl)piperidine-2-carboxylic acid

SMILES

OC(=O)C1NCCC(C1)CP(=O)(O)O

InChIKey

LPMRCCNDNGONCD-UHFFFAOYSA-N

InChI

1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)

关联靶标

Glutamate receptor ionotropic, NMDA 1, Glutamate receptor ionotropic, NMDA 2A, Glutamate receptor ionotropic, NMDA 2B, Glutamate receptor ionotropic, NMDA 2C, Glutamate receptor ionotropic, NMDA 2D

WIN 64338

技术标识符

IUPAC名称

tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium chloride

SMILES

CCCC[P+](Cc1ccc(cc1)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-]

InChIKey

MJWYKJXHACNJCD-SXWPEPABSA-N

InChI

1S/C45H67N4OP.ClH/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41;/h16-19,24-29,33,40-41显示更多

关联靶标

B2 bradykinin receptor

THPG

技术标识符

IUPAC名称

2-[(3,4,5-trihydroxyphenyl)amino]acetic acid

SMILES

OC(=O)CNc1cc(O)c(c(c1)O)O

InChIKey

ZXXHFFMAINKZSZ-UHFFFAOYSA-N

InChI

1S/C8H9NO5/c10-5-1-4(9-3-7(12)13)2-6(11)8(5)14/h1-2,9-11,14H,3H2,(H,12,13)

关联靶标

Metabotropic glutamate receptor 6

SP-4206

技术标识符

IUPAC名称

5-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid

SMILES

CC(C[C@H](C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)N=C(N)N)C

InChIKey

VNZHOIDQBPFEJU-OAQYLSRUSA-N

InChI

1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,4显示更多

关联靶标

Interleukin-2