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Inhibitors

Inhibitor refers to substance that can hinder the chemical reactions, biological reactions (including immune response) and biological activity. In present time, commonly used inhibitors include immunosuppressants and inhibitors.

1. Immunosuppressive agents: immunosuppressants system refers to drug that can reduce the immune response. It can selectively suppress certain steps of the immune response and immune cells. Immune response refers to the body’s response to a variety of pathogenic substances. Some reactions are favorable to the body and can enhance the body's resistance to disease; some have adverse effects on the body and can cause tissue damage or disorders of physiological functions (allergy). Therefore, patients suffering from allergic reactions being harmful to the body should be subject to the treatment of immunosuppressant to affect the related immune processes and reduce the immune response of the body.

For the treatment of various autoimmune diseases and weakening the tissue incompatibility, it has been developed of a variety of immunosuppressive agents, some of which have been widely used in clinical practice. Commonly used immunosuppressants include glucocorticoids (prednisone, prednisolone, etc.), alkylating agents (nitric oxide mustard, cyclophosphamide, thiotepa, busulfan, etc.), and antimetabolites (6- mercaptopurine, azathioprine, methotrexate, etc.).

The mechanism of immunosuppressants, though not entirely clear, but is characterized by the following several aspects:
① most kinds of immunosuppressants can simultaneously inhibit cellular and humoral immunity and can be used for organ transplantation and autoimmune disease.
②Its inhibitory effect is strong for the primary immune response while the inhibitory effect against secondary response is weak.
③It can simultaneously act on normal and pathological immunity, therefore, can often lead to some complications.
④These drugs often have strong with serious adverse reactions.

2. Enzyme inhibitors: Enzyme inhibitors refer to compounds or drugs being capable of binding to enzyme and inhibit the enzymatic activity. It is clinically often applied of enzyme inhibitors to specially interfere with certain metabolic system to achieve the therapeutic purposes. For example, people use monoamine oxidase inhibitors as antidepressants; use carbonic anhydrase inhibitors as diuretics; use dopa decarboxylase inhibitors as antihypertensive drugs and use antibiotics such as penicillin, cephalosporins belonging to cell wall synthesis inhibitors. Enzyme inhibitors have applications in veterinary medicine and agriculture. In addition, people can also apply enzyme inhibitors to study the mechanism of the enzyme and metabolic pathways.

Enzyme inhibitors often have similar structure with their natural substrates. For designing the inhibitors according modification of natural substrate, people should first analyze and decide the function of each part of the molecule in binding with enzymes: for binding or not binding or repulsion; secondly, people should know the degree of tolerance of the binding site to the adjacent steric hindrance. Then people can replace each functional group to regulate the strength of interaction with the enzyme.

Inhibitors can be divided into reversible and irreversible, two classes. (1)Inhibitors binding with enzyme through non-covalent bonds are called reversible inhibitor. (2)Inhibitors binding to the enzyme via a covalent bond are irreversible inhibitors with strong binding affinity. They will not be affected by concentration change process such as dialysis or dilution after binding to the enzyme.

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Structure Chemical Name CAS MF
Ki16198 Ki16198 355025-13-7 C24H25ClN2O5S
LGK-974 LGK-974 1243244-14-5 C23H20N6O
7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate 7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate 802904-66-1 C19H17ClN2O3S
GNE-9605 GNE-9605 1536200-31-3 C17H20ClF4N7O
(Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3- (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3- 1421919-75-6 C16H10F8N4O
5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine 5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine 865362-74-9 C18H13N7
ADX-47273 ADX-47273 851881-60-2 C20H17F2N3O2
CAY10505 CAY10505 1218777-13-9 C14H8FNO3S
4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazane 3-oxide 4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazane 3-oxide 58131-57-0 C11H13N5O4
ANA12 ANA12 219766-25-3 C22H21N3O3S
GSK2656157 GSK2656157 1337532-29-2 C23H21FN6O
GSK J4 HCl GSK J4 HCl 1373423-53-0 C24H27N5O2
G-749 G-749 1457983-28-6 C25H25BrN6O2
NVP-BSK805 NVP-BSK805 1092499-93-8 C27H28F2N6O
3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide 3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide 1001917-37-8 C25H21N5O3S
C 646 C 646 328968-36-1 C24H19N3O6
PYR 41 PYR 41 418805-02-4 C17H13N3O7
E-3810 E-3810 1058137-23-7 C26H25N3O4
XL888 XL888 1149705-71-4 C29H37N5O3
Nutlin-3b Nutlin-3b 675576-97-3 C30H30Cl2N4O4
lenvatinib Mesylate lenvatinib Mesylate 857890-39-2 C22H23ClN4O7S
SGI-1027 SGI-1027 1020149-73-8 C27H23N7O
OTX015 OTX015 202590-98-5 C25H22ClN5O2S
VE 822 VE 822 1232416-25-9 C24H25N5O3S
Encorafenib (LGX818) Encorafenib (LGX818) 1269440-17-6 C22H27ClFN7O4S
AHAS inhibitor AHAS inhibitor 219793-45-0 C19H12ClNO6S
Tacrolimus Monohydrate Tacrolimus Monohydrate 109581-93-3 C44H71NO13
CCG-1423 CCG-1423 285986-88-1 C18H13ClF6N2O3
PF-04620110 PF-04620110 1109276-89-2 C21H24N4O4
Refametinib Refametinib 923032-37-5 C19H20F3IN2O5S
WAY-600 WAY-600 1062159-35-6 C28H30N8O
CEP 33779 CEP 33779 1257704-57-6 C24H26N6O2S
Dolutegravir sodium Dolutegravir sodium 1051375-19-9 C20H20F2N3NaO5
Dovitinib Dilactic acid (TKI258 Dilactic acid) Dovitinib Dilactic acid (TKI258 Dilactic acid) 852433-84-2 C24H27FN6O4
EI1 EI1 1418308-27-6 C23H26N4O2
NSC319726 NSC319726 71555-25-4 C11H14N4S
JIB-04 JIB-04 199596-05-9 C17H13ClN4
MK8745 MK8745 885325-71-3 C20H19ClFN5OS
SGC-CBP30 SGC-CBP30 1613695-14-9 C28H33ClN4O3
ML167 ML167 1285702-20-6 C19H17N3O3
BroMosporine BroMosporine 1619994-69-2 C17H20N6O4S
CW069 CW069 1594094-64-0 C23H21IN2O3
GNE-0877 GNE-0877 1374828-69-9 C14H16F3N7
HS-173 HS-173 1276110-06-5 C21H18N4O4S
Nexturastat A Nexturastat A 1403783-31-2 C19H23N3O3
UNC2881 UNC2881 1493764-08-1 C25H33N7O2
LY2584702 LY2584702 1082949-67-4 C21H19F4N7
GABAPENTIN-D6 HYDROCHLORIDE GABAPENTIN-D6 HYDROCHLORIDE 60142-95-2 C9H12ClD6NO2
4,4'-propylenebis(piperazine-2,6-dione) 4,4'-propylenebis(piperazine-2,6-dione) 21416-67-1 C11H16N4O4
SB269970 HCl SB269970 HCl 261901-57-9 C18H28N2O3SHCl
BAM7 BAM7 331244-89-4 C21H19N5O2S
DCC-2618 DCC-2618 1225278-16-9 C26H21F2N5O3
pf-5274857 pf-5274857 1373615-35-0 C20H25ClN4O3S
ML 133 Hydrochloride ML 133 Hydrochloride 1222781-70-5 C19H20ClNO
6-(2-Chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-Methyl-piperazin-1-yl)-phenylaMino]-8H-pyrido[2,3-d]pyriMidin-7-one 6-(2-Chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-Methyl-piperazin-1-yl)-phenylaMino]-8H-pyrido[2,3-d]pyriMidin-7-one 1286739-19-2 C29H28ClN7OS
Teneligliptin  Hydrobromide Teneligliptin Hydrobromide 906093-29-6 C22H31BrN6OS
KU 0060648 KU 0060648 881375-00-4 C33H34N4O4S
MS436 MS436 1395084-25-9 C18H17N5O3S
K 02288 K 02288 1431985-92-0 C20H20N2O4
ML-323 ML-323 1572414-83-5 C23H24N6
LDN212854 LDN212854 1432597-26-6 C25H22N6
SU 9516 SU 9516 377090-84-1 C13H11N3O2
Mildronate dihydrate Mildronate dihydrate 86426-17-7 C6H14N2O2.2H2O
Mk-2461  . Mk-2461 . 917879-39-1 C24H25N5O5S
1-Methyl-N-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl-1H-pyrazole-5-carboxamide 1-Methyl-N-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl-1H-pyrazole-5-carboxamide 301326-22-7 C19H19N5O
Droxinostat Droxinostat 99873-43-5 C11H14ClNO3
Bikinin Bikinin 188011-69-0 C9H9BrN2O3
CP 91149 CP 91149 186392-40-5 C21H21ClN3O3
NVP-HSP990(HSP990) NVP-HSP990(HSP990) 934343-74-5 C20H18FN5O2
AT-13148 AT-13148 1056901-62-2 C17H16ClN3O
SR 1078 SR 1078 1246525-60-9 C17H10F9NO2
AST-1306 AST-1306 1050500-29-2 C31H26ClFN4O5S
AT-101 AT-101 866541-93-7 C32H34O10
Poziotinib (HM781-36B) Poziotinib (HM781-36B) 1092364-38-9 C23H21Cl2FN4O3
BAY 87-2243 BAY 87-2243 1227158-85-1 C26H26F3N7O2
IM-12 IM-12 1129669-05-1 C22H20FN3O2
SP2509 SP2509 1423715-09-6 C19H20ClN3O5S
Mycophenolate mofetil Mycophenolate mofetil 115007-34-6 C23H31NO7
GW 842166X GW 842166X 666260-75-9 C18H17Cl2F3N4O2
Losmapimod (GW856553X) Losmapimod (GW856553X) 585543-15-3 C22H26FN3O2
4-[[4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone 4-[[4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone 890090-75-2 C30H30Cl2N4O4
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline 4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline 1206711-16-1 C24H20N4O
Tubacin Tubacin 537049-40-4 C41H43N3O7S
2-[[2-Ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one 2-[[2-Ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one 1234480-50-2 C26H30N6O3
PF-2545920 PF-2545920 1292799-56-4 C25H20N4O
NSC 23766 (hydrochloride) NSC 23766 (hydrochloride) 1177865-17-6 C24H35N7
VER-50589 VER-50589 747413-08-7 C19H17ClN2O5
(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide (R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide 913358-93-7 C29H31F3N2O3
SGC0946 SGC0946 1561178-17-3 C28H40BrN7O4
AZ20 AZ20 1233339-22-4 C21H24N4O3S
GDC-0152 GDC-0152 873652-48-3 C25H34N6O3S
RG-7388 RG-7388 1229705-06-9 C31H29Cl2F2N3O4
XL-388 XL-388 1251156-08-7 C23H22FN3O4S
AZD-2858 AZD-2858 486424-20-8 C21H23N7O3S
P276 P276 920113-03-7 C21H21Cl2NO5
MM-102 MM-102 1417329-24-8 C35H49F2N7O4
NU 6027 NU 6027 220036-08-8 C11H17N5O2
MI-2 (Menin-MLL Inhibitor) MI-2 (Menin-MLL Inhibitor) 1271738-62-5 C18H25N5S2
CAY10603 CAY10603 1045792-66-2 C22H30N4O6
MK-2048 MK-2048 869901-69-9 C21H21ClFN5O4
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