α氨基酸及其衍生物

(S)-2-amino-3-(4-(5-(4′-hydroxy-6-methoxy-[1,1′-biphenyl]-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)propanoic acid

技术标识符

IUPAC名称

(S)-2-amino-3-(4-(5-(4′-hydroxy-6-methoxy-[1,1′-biphenyl]-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)propanoic acid

SMILES

COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N

InChIKey

DAAXYQZSKBPJOX-FQEVSTJZSA-N

InChI

1S/C24H21N3O5/c1-31-21-11-8-17(13-19(21)15-6-9-18(28)10-7-15)23-26-22(27-32-23)16-4-2-14(3-5-16)12-20(25)24(29)30/h2-11,13,20,28H,12,25H2,1H3,(H,29,30)/t20-/m0/s1

关联靶标

Tryptophan 5-hydroxylase 1

(R,S)-4-PPG

技术标识符

IUPAC名称

2-amino-2-(4-phosphonophenyl)acetic acid

SMILES

OC(=O)C(c1ccc(cc1)P(=O)(O)O)N

InChIKey

JRQRKFDFHAPMGQ-UHFFFAOYSA-N

InChI

1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)

关联靶标

Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 8, Metabotropic glutamate receptor 6

(S)-VU0637120

技术标识符

IUPAC名称

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide

SMILES

CS(=O)(=O)N1CCCCC1C(=O)NC2=NC3=CC4=C(C=C3S2)OCCO4

InChIKey

XLSQVBRMGFLMGL-UHFFFAOYSA-N

InChI

1S/C16H19N3O5S2/c1-26(21,22)19-5-3-2-4-11(19)15(20)18-16-17-10-8-12-13(9-14(10)25-16)24-7-6-23-12/h8-9,11H,2-7H2,1H3,(H,17,18,20)

关联靶标

Neuropeptide Y receptor type 4

(S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide

技术标识符

IUPAC名称

(S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide

SMILES

O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1

InChIKey

QTGORSKTHIBLJT-FIVJMQNTSA-N

InChI

1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40显示更多

(S)-4-AHCP

技术标识符

IUPAC名称

(2S)-2-amino-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid

SMILES

OC(=O)[C@H](CC1=CCCCc2c1c(O)no2)N

InChIKey

HJEPOXZLPHUVFE-ZETCQYMHSA-N

InChI

1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1

关联靶标

Glutamate receptor ionotropic, kainate 5, Glutamate receptor ionotropic, kainate 1, Glutamate receptor 3, Glutamate receptor 1

(S)-5-iodowillardiine

技术标识符

IUPAC名称

(2S)-2-amino-3-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid

SMILES

OC(=O)[C@H](Cn1cc(I)c(=O)[nH]c1=O)N

InChIKey

AXXYLTBQIQBTES-BYPYZUCNSA-N

InChI

1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1

关联靶标

Glutamate receptor 4, Glutamate receptor ionotropic, kainate 5, Glutamate receptor ionotropic, kainate 1, Glutamate receptor 2, Glutamate receptor 1

(RS)-(tetrazol-5-yl)glycine

技术标识符

IUPAC名称

2-amino-2-(1H-1,2,3,4-tetrazol-5-yl)acetic acid

SMILES

OC(=O)C(c1nnn[nH]1)N

InChIKey

UKBRUIZWQZHXFL-UHFFFAOYSA-N

InChI

1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)

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

(S)-4CPG

技术标识符

IUPAC名称

4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]benzoic acid

SMILES

N[C@@H](c1ccc(cc1)C(=O)O)C(=O)O

InChIKey

VTMJKPGFERYGJF-ZETCQYMHSA-N

InChI

1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1

关联靶标

Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5

(S)-(+)-CBPG

技术标识符

IUPAC名称

3-[(S)-amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

SMILES

OC(=O)[C@H](C12CC(C1)(C2)C(=O)O)N

InChIKey

KNSHLWJBSDBBRH-XOJFDHPMSA-N

InChI

1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1

关联靶标

Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5

(S)-TBPG

技术标识符

IUPAC名称

(2S)-2-amino-2-[3-(2H-1,2,3,4-tetrazol-5-yl)bicyclo[1.1.1]pentan-1-yl]acetic acid

SMILES

OC(=O)[C@H](C12CC(C1)(C2)c1n[nH]nn1)N

InChIKey

XYCORZCGVTXZFU-XOJFDHPMSA-N

InChI

1S/C8H11N5O2/c9-4(5(14)15)7-1-8(2-7,3-7)6-10-12-13-11-6/h4H,1-3,9H2,(H,14,15)(H,10,11,12,13)/t4-,7?,8?/m1/s1

关联靶标

Metabotropic glutamate receptor 1

GC-373

技术标识符

SMILES

O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O

InChIKey

QYENXTYKACLCGO-FQECFTEESA-N

InChI

1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1

zasocitinib

技术标识符

IUPAC名称

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES

CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC)Nc1cccn(c1=O)c1ccccn1

InChIKey

BWINBHTTZLVXGT-NVXWUHKLSA-N

InChI

1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1

关联靶标

Non-receptor tyrosine-protein kinase TYK2