α氨基酸及其衍生物

MGS0039

技术标识符

IUPAC名称

(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

SMILES

OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O

InChIKey

LFAGGDAZZKUVKO-JAGWWQSPSA-N

InChI

1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1

关联靶标

Metabotropic glutamate receptor 2, Metabotropic glutamate receptor 3

MGS0028

技术标识符

IUPAC名称

(1R,2S,5S,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

SMILES

O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O

InChIKey

KFAGJPNFERWZJA-JKBXLQNXSA-N

InChI

1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1

关联靶标

Metabotropic glutamate receptor 2, Metabotropic glutamate receptor 3

MG-277

技术标识符

SMILES

C1CCC2(CC1)[C@@]1([C@H]([C@@H](N2)C(=O)NCCCCCc2c3CN(C(=O)c3ccc2)C2CCC(=O)NC2=O)c2c(c(ccc2)Cl)F)c2c(cc(cc2)Cl)NC1=O

InChIKey

BANRYGZZIMCKNA-OYGJEQPESA-N

InChI

1S/C41H42Cl2FN5O5/c42-24-14-15-28-30(21-24)46-39(54)41(28)33(26-12-8-13-29(43)34(26)44)35(48-40(41)18-4-2-5-19-40)37(52)45-20-6-1-3-9-23-10-7-11-25-27(23)22-49(38(25)53)31-16-17-32(50)47-36(31)51/h7-8显示更多

关联靶标

Protein cereblon, E3 ubiquitin-protein ligase Mdm2

L873724

技术标识符

IUPAC名称

(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

SMILES

CC(C[C@@H](C(=O)NCC#N)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C

InChIKey

VYFDSJLOCIGIKP-SFTDATJTSA-N

InChI

1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1

关联靶标

Cathepsin L1, Cathepsin S, Cathepsin K

L735821

技术标识符

IUPAC名称

(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide

SMILES

O=C(N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)/C=C/c1ccc(cc1Cl)Cl

InChIKey

BYULDQRRUINTAA-SWDTZWKESA-N

InChI

1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1

关联靶标

Potassium voltage-gated channel subfamily KQT member 2, Potassium voltage-gated channel subfamily KQT member 1, Potassium voltage-gated channel subfamily H member 2

L-trans-2,4-pyrolidine dicarboxylate

技术标识符

IUPAC名称

(2S,4R)-pyrrolidin-1-ium-2,4-dicarboxylate

SMILES

[O-]C(=O)[C@H]1[NH2+]C[C@@H](C1)C(=O)[O-]

InChIKey

NRSBQSJHFYZIPH-DMTCNVIQSA-M

InChI

1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1

L-argininosuccinic acid

技术标识符

IUPAC名称

(2S)-2-[[N'-[(4S)-4-amino-5-hydroxy-5-oxopentyl]carbamimidoyl]amino]butanedioic acid

SMILES

N=C(N[C@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N

InChIKey

KDZOASGQNOPSCU-WDSKDSINSA-N

InChI

1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

L-NAME

技术标识符

IUPAC名称

methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate

SMILES

COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N

InChIKey

KCWZGJVSDFYRIX-YFKPBYRVSA-N

InChI

1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1

L-797,591

技术标识符

IUPAC名称

(2R)-N-(6-amino-2,2,4-trimethylhexyl)-3-naphthalen-1-yl-2-[(2-phenylethyl-(2-pyridin-2-ylethyl)carbamoyl)amino]propanamide

SMILES

NCCC(CC(CNC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C

InChIKey

MZKKCMXXGCRPGX-LMZJGDDPSA-N

InChI

1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44显示更多

关联靶标

Somatostatin receptor type 1

L-779,976

技术标识符

IUPAC名称

N-[(2R,3S)-1-[[(1R,3R)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

SMILES

NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2

InChIKey

DDVPVAOEMZRZQU-JONNCTARSA-N

InChI

1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36显示更多

关联靶标

Somatostatin receptor type 2

L-739,750

技术标识符

IUPAC名称

(2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid

SMILES

CC[C@@H]([C@H](NC[C@H](CS)N)CO[C@H](C(=O)N[C@H](C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C

InChIKey

SIEXHGZWGJLLAC-OSTWSGHESA-N

InChI

1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1

关联靶标

Protein farnesyltransferase subunit beta

JMV3008

技术标识符

IUPAC名称

(2S)-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(3-ethylindol-1-yl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

SMILES

COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1

InChIKey

YAWJYESYIAWFJX-URLMMPGGSA-N

InChI

1S/C35H37N7O3/c1-4-22-21-41(30-14-8-6-11-26(22)30)35-40-39-33(42(35)31-16-15-24(44-2)19-32(31)45-3)29(38-34(43)28-13-9-17-36-28)18-23-20-37-27-12-7-5-10-25(23)27/h5-8,10-12,14-16,19-21,28-29,36-37H,4,显示更多

关联靶标

Growth hormone secretagogue receptor type 1