α氨基酸及其衍生物

FR190997

技术标识符

IUPAC名称

4-[(E)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

SMILES

CNC(=O)c1ccc(cc1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2OCc1ccccn1)Cl)C

InChIKey

YFMDLMSUZMRKKH-SFQUDFHCSA-N

InChI

1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47显示更多

关联靶标

B2 bradykinin receptor

FR173657

技术标识符

IUPAC名称

(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide

SMILES

CC(=O)Nc1ccc(cn1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C

InChIKey

XCKWRUGRUFVXGC-NTEUORMPSA-N

InChI

1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+

关联靶标

B2 bradykinin receptor

FR167344

技术标识符

IUPAC名称

4-[(E)-3-[[2-[[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide

SMILES

O=C(/C=C/c1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C

InChIKey

NDOBHDUXUJNXHX-NTEUORMPSA-N

InChI

1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+

关联靶标

B2 bradykinin receptor

FP0429

技术标识符

IUPAC名称

(2S,4S)-4-amino-1-[(2E)-3-carboxyprop-2-enoyl]pyrrolidine-2,4-dicarboxylic acid

SMILES

OC(=O)/C=C/C(=O)N1C[C@](C[C@H]1C(=O)O)(N)C(=O)O

InChIKey

ZALHFQNLXQORTH-FGLATXDZSA-N

InChI

1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1

关联靶标

Metabotropic glutamate receptor 4

ETX0282

技术标识符

IUPAC名称

isopropyl (R)-2-(((1R,2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetate

SMILES

F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C

InChIKey

OMNVFPBGXYKTDB-UTLUCORTSA-N

InChI

1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9+,10+/m1/s1

ERW1041E

技术标识符

IUPAC名称

quinolin-3-ylmethyl (2S)-2-[[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate

SMILES

O=C([C@@H]1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NC[C@H]1ON=C(C1)Br

InChIKey

FDWIPZHANLQVMF-RDJZCZTQSA-N

InChI

1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1

关联靶标

Protein-glutamine gamma-glutamyltransferase 2

EP-7041

技术标识符

IUPAC名称

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid

SMILES

Nc1nccc(c1)C[C@@H]1[C@H](N(C1=O)C(=O)N[C@H](C)C1CCCCC1)C(=O)O

InChIKey

NYPSZHLKEMYZKK-XFJVYGCCSA-N

InChI

1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1

关联靶标

Coagulation factor XI

EG01377

技术标识符

IUPAC名称

(2S)-2-[(3-{5-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-7-sulfonamido}thiophen-2-yl)formamido]-5-carbamimidamidopentanoic acid

SMILES

NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@H](C(=O)O)CCCNC(=N)N

InChIKey

SEXUXSMBJLNXIR-FQEVSTJZSA-N

InChI

1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4显示更多

关联靶标

Neuropilin-1

EG00229

技术标识符

SMILES

NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2

InChIKey

ZWWMEDURALZMEV-NSHDSACASA-N

InChI

1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1

关联靶标

Neuropilin-1

Deuterium-substituted L-DOPA

技术标识符

IUPAC名称

(2S)-2-amino-2,3,3-trideuterio-3-(3,4-dihydroxyphenyl)propanoic acid

SMILES

OC(=O)[C@](C(c1ccc(c(c1)O)O)([2H])[2H])(N)[2H]

InChIKey

WTDRDQBEARUVNC-QZRTVAIESA-N

InChI

1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D

CGS-27023A

技术标识符

IUPAC名称

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide

SMILES

ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C

InChIKey

BSIZUMJRKYHEBR-QGZVFWFLSA-N

InChI

1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1

关联靶标

Interstitial collagenase, Matrix metalloproteinase-25, Collagenase 3, Matrix metalloproteinase-14, Matrix metalloproteinase-9, 72 kDa type IV collagenase, Stromelysin-1, Neutrophil collagenase

CAA0225

技术标识符

IUPAC名称

(2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide

SMILES

O=C([C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1

InChIKey

ZMZQYVMNDRBKLO-SDHOMARFSA-N

InChI

1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1

关联靶标

Cathepsin L1