α氨基酸及其衍生物

[³H]folinic acid

技术标识符

SMILES

O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N

InChIKey

VVIAGPKUTFNRDU-ABLWVSNPSA-N

InChI

1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s显示更多

关联靶标

Proton-coupled folate transporter

[³H]folic acid

技术标识符

IUPAC名称

(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

SMILES

OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N

InChIKey

OVBPIULPVIDEAO-LBPRGKRZSA-N

InChI

1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

关联靶标

Folate transporter 1, Proton-coupled folate transporter

[³H]eglumegad

技术标识符

IUPAC名称

(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

SMILES

OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O

InChIKey

VTAARTQTOOYTES-RGDLXGNYSA-N

InChI

1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1

关联靶标

Metabotropic glutamate receptor 2, Metabotropic glutamate receptor 8, Metabotropic glutamate receptor 3, Metabotropic glutamate receptor 6

[³H]SYM2081

技术标识符

IUPAC名称

(2S,4R)-2-amino-4-methylpentanedioate

SMILES

[O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C

InChIKey

KRKRAOXTGDJWNI-DMTCNVIQSA-L

InChI

1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1

关联靶标

Excitatory amino acid transporter 1, Excitatory amino acid transporter 2, Glutamate receptor ionotropic, kainate 4, Glutamate receptor ionotropic, kainate 5, Glutamate receptor ionotropic, kainate 1, Glutamate receptor ionotropic, kainate 2, Glutamate receptor ionotropic, kainate 3

[³H]UBP310

技术标识符

IUPAC名称

3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acid

SMILES

N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O

InChIKey

ZTAZUCRXCRXNSU-VIFPVBQESA-N

InChI

1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1

关联靶标

Glutamate receptor ionotropic, kainate 1, Glutamate receptor ionotropic, kainate 3

[³H]D-aspartic acid

技术标识符

IUPAC名称

(2R)-2-aminobutanedioic acid

SMILES

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

InChIKey

CKLJMWTZIZZHCS-UWTATZPHSA-N

InChI

1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

关联靶标

Excitatory amino acid transporter 3, Excitatory amino acid transporter 5, Excitatory amino acid transporter 1, Excitatory amino acid transporter 4, Excitatory amino acid transporter 2

[³H]CPP

技术标识符

IUPAC名称

4-(3-phosphonopropyl)piperazine-2-carboxylic acid

SMILES

OC(=O)C1NCCN(C1)CCCP(=O)(O)O

InChIKey

CUVGUPIVTLGRGI-UHFFFAOYSA-N

InChI

1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)

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]L-aspartic acid

技术标识符

IUPAC名称

(2S)-2-aminobutanedioic acid

SMILES

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

InChIKey

CKLJMWTZIZZHCS-REOHCLBHSA-N

InChI

1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

关联靶标

Excitatory amino acid transporter 3, Excitatory amino acid transporter 5, Excitatory amino acid transporter 1, Excitatory amino acid transporter 4, Excitatory amino acid transporter 2

[³H]JB-93182

技术标识符

IUPAC名称

5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid

SMILES

O=C([C@@H](NC(=O)c1cc2cc[nH]c2cc1C(=O)NCC12CC3CC(C2)CC(C1)C3)Cc1ccccc1)Nc1cc(cc(c1)C(=O)O)C(=O)O

InChIKey

DKYQJTXTKSMTHK-FGLZHOHTSA-N

InChI

1S/C38H38N4O7/c43-33(40-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-31-25(6-7-39-31)15-29(30)34(44)42-32(11-21-4-2-1-3-5-21)35(45)41-28-13-26(36(46)47)12-27(14-28)37(48)49/h1-7,12-16,22-24,32,39H,8-显示更多

关联靶标

Gastrin/cholecystokinin type B receptor

[(2S)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-[(2-methoxyphenyl)sulfanylmethyl]-3-oxopropyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

技术标识符

IUPAC名称

[(2S)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-[(2-methoxyphenyl)sulfanylmethyl]-3-oxopropyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

SMILES

COc1ccccc1SC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O

InChIKey

YDDMVPLLJTZTQL-LAABSITASA-N

InChI

1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20显示更多

关联靶标

Collagenase 3, Matrix metalloproteinase-14, Matrix metalloproteinase-9, Stromelysin-3, 72 kDa type IV collagenase, Neutrophil collagenase

YH-53

技术标识符

SMILES

s1c(nc2c1cccc2)C(=O)[C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@H](CC(C)C)NC(=O)c1[nH]c2cccc(c2c1)OC

InChIKey

JBLLRCOZJMVOAE-HSQYWUDLSA-N

InChI

1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(显示更多

WX-UK1

技术标识符

IUPAC名称

ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate

SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N

InChIKey

ISJSHQTWOHGCMM-NDEPHWFRSA-N

InChI

1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28显示更多

关联靶标

Suppressor of tumorigenicity 14 protein, Tryptase gamma, Plasminogen, Urokinase-type plasminogen activator, Prothrombin