二肽

RWJ-56110

技术标识符

IUPAC名称

(2S)-4-amino-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]-N-(phenylmethyl)butanamide

SMILES

NCC[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1ccc(c(c1)F)F)NC(=O)Nc1ccc2c(c1)n(Cc1c(Cl)cccc1Cl)cc2CN1CCCC1

InChIKey

SWPAWRHBFNDXEU-BCRBLDSWSA-N

InChI

1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6显示更多

关联靶标

Proteinase-activated receptor 1

RXP470.1

技术标识符

IUPAC名称

4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(4-bromophenyl)-hydroxyphosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

SMILES

OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)NC(=O)[C@@H](CP(=O)(c1ccc(cc1)Br)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl

InChIKey

PTUCPHGSAFOJAU-MGONOCMRSA-N

InChI

1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29显示更多

关联靶标

Matrilysin, Collagenase 3, Matrix metalloproteinase-14, Macrophage metalloelastase, Stromelysin-2, 72 kDa type IV collagenase, Stromelysin-1, Neutrophil collagenase

PD157672

技术标识符

IUPAC名称

tert-butyl N-[(2S)-1-[[(2R)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

SMILES

NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C

InChIKey

BYVRLIUFCGUMSP-XYFQYJLHSA-N

InChI

1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,3显示更多

关联靶标

Neuromedin-K receptor

NYX-2925

技术标识符

IUPAC名称

(2S,3R)-3-hydroxy-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide

SMILES

CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C

InChIKey

NFXPEHLDVKVVKA-ISTVAULSSA-N

InChI

1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m1/s1

关联靶标

Glutamate receptor ionotropic, NMDA 2A

MS8815

技术标识符

IUPAC名称

(2S,4R)-1-((S)-2-(9-(4-((3′-(((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5′-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4′-methyl-[1,1′-biphenyl]-4-yl)methyl)piperazin-1-yl)-9-ox显示更多

SMILES

Cc1c(c(=O)[nH]c(c1)C)CNC(=O)c1cc(cc(c1C)N(C1CCOCC1)CC)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C

InChIKey

AOIZISCRIVNZJJ-XWJFFXCMSA-N

InChI

1S/C65H87N9O8S/c1-9-73(51-25-31-82-32-26-51)55-35-50(34-53(44(55)4)61(78)67-38-54-42(2)33-43(3)69-62(54)79)48-21-19-47(20-22-48)39-71-27-29-72(30-28-71)58(77)16-14-12-10-11-13-15-57(76)70-60(65(6,7)8)显示更多

关联靶标

von Hippel-Lindau disease tumor suppressor

Lys[Z(NO₂)]-Lys[Z(NO₂)] TFA

技术标识符

IUPAC名称

2-{2-azaniumyl-6-[(4-nitrophenoxycarbonyl)amino]hexanamido}-6-({[(4-nitrophenyl)methoxy]carbonyl}amino)hexanoate

SMILES

O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]

InChIKey

AJUWOKKXEQNXLT-UHFFFAOYSA-N

InChI

1S/C27H34N6O11/c28-22(5-1-3-16-30-27(38)44-21-13-11-20(12-14-21)33(41)42)24(34)31-23(25(35)36)6-2-4-15-29-26(37)43-17-18-7-9-19(10-8-18)32(39)40/h7-14,22-23H,1-6,15-17,28H2,(H,29,37)(H,30,38)(H,31,34)显示更多

关联靶标

Solute carrier family 15 member 2, Solute carrier family 15 member 1

Lys[Z(NO₂)]-Pro

技术标识符

IUPAC名称

(2S)-1-{2-amino-6-[(4-nitrophenoxycarbonyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid

SMILES

O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCC[C@H]1C(=O)O)N

InChIKey

XECWFUGQRJPWRP-LOACHALJSA-N

InChI

1S/C18H24N4O7/c19-14(16(23)21-11-3-5-15(21)17(24)25)4-1-2-10-20-18(26)29-13-8-6-12(7-9-13)22(27)28/h6-9,14-15H,1-5,10-11,19H2,(H,20,26)(H,24,25)/t14?,15-/m0/s1

关联靶标

Solute carrier family 15 member 2, Solute carrier family 15 member 1

J-2156

技术标识符

IUPAC名称

(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide

SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC(CCN)C(=O)NC(CC3=CC=CC=C3)C(=O)N

InChIKey

VTNCZBXJSGKDLS-SFTDATJTSA-N

InChI

1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1

关联靶标

Somatostatin receptor type 4

Dup-714

技术标识符

IUPAC名称

[(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid

SMILES

CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)CCCN=C(N)N)Cc1ccccc1

InChIKey

FXFYPTZERULUBS-SQNIBIBYSA-N

InChI

1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1

关联靶标

Tissue-type plasminogen activator, Trypsin-1, Plasminogen, Prothrombin

E339-3D6

技术标识符

IUPAC名称

4-{[(1-{[2-(1-benzyl-3-methyl-1H-imidazol-3-ium-4-yl)-1-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]ethyl]carbamoyl}-5-({[12-({4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-3-sulfobenzene}sul显示更多

SMILES

[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=显示更多

InChIKey

SEZVZMIKECAWEG-UHFFFAOYSA-O

InChI

1S/C72H101N13O10S3.3C2HF3O2/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-显示更多

关联靶标

Apelin receptor

Bis1

技术标识符

IUPAC名称

(2S)-1-[N-[[(4S)-2-[(2S)-1-(N-Pivaloyl-L-Ala-N-methyl-3-bromo-D-Tyr-)-4alpha-methylpyrrolidine-2alpha-yl]-2-thiazoline-4beta-yl]carbonyl]-D-Leu-N-methyl-L-Phe-]-2alpha-propanoylpyrrolidine

SMILES

CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H]1CSC(=N1)[C@@H]1C[C@@H](CN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1

InChIKey

ADHYVMBQQIBLSN-WQGIEDEVSA-N

InChI

1S/C50H70BrN7O8S/c1-11-41(59)37-18-15-21-57(37)47(64)39(25-32-16-13-12-14-17-32)56(10)46(63)35(22-29(2)3)53-43(61)36-28-67-44(54-36)38-23-30(4)27-58(38)48(65)40(26-33-19-20-42(60)34(51)24-33)55(9)45(6显示更多

B3C

技术标识符

IUPAC名称

benzyl N-[(2R)-1-[(2S,4R)-2-[[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1,1-dihydroxyhexan-2-yl]carbamoyl]-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamate

SMILES

NCCCC[C@@H](C(c1nc2c(o1)cccc2)(O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C

InChIKey

KGNDCEVUMONOKF-UGPLYTSKSA-N

InChI

1S/C44H51N5O8/c1-30-19-21-33(22-20-30)28-55-34-26-37(40(50)48-39(18-10-11-25-45)44(53,54)42-46-35-16-8-9-17-38(35)57-42)49(27-34)41(51)36(24-23-31-12-4-2-5-13-31)47-43(52)56-29-32-14-6-3-7-15-32/h2-9,显示更多

关联靶标

Prostasin