0 |
AAR-POS-dddeddbf-5 |
covalent_warhead, nitrile_adduct |
C[C@@H]1CS/C(=N\NC(=O)C(=O)C(NC(=O)C2CCCCCC2)C2CCOCC2)N1C |
|
1 |
AAR-POS-fca48359-11 |
in_emolecules, covalent_warhead, acrylamide_adduct |
Cc1ccc(N(C(=O)C2N3C(=O)CC3S(=O)(=O)C2(C)C)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 |
|
2 |
AAR-POS-fca48359-7 |
covalent_warhead, acrylamide_adduct |
O=C(O)[C@@H]1CCCN1C(=O)CC(CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 |
|
3 |
CHR-GRO-51f79798-1 |
covalent_warhead, chloroacetamide_adduct |
Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)SCC(=O)N2 |
|
4 |
CHR-GRO-51f79798-2 |
covalent_warhead, chloroacetamide_adduct |
Cc1nn(-c2ccc(Cl)cc2)c2c1C1(CCCCC1)SCC(=O)N2 |
|
5 |
CHR-GRO-51f79798-3 |
covalent_warhead, chloroacetamide_adduct |
COc1ccc(-n2nc(C)c3c2NC(=O)CSC32CCCCC2)cc1 |
|
6 |
CHR-GRO-51f79798-4 |
covalent_warhead, chloroacetamide_adduct |
Cc1nn(-c2ccc(F)cc2)c2c1C1(CCCCC1)SCC(=O)N2 |
|
7 |
FAR-UNI-736b943a-4 |
in_emolecules, covalent_frag, covalent_warhead, acrylamide_adduct |
O=C(O)[C@@H]1CCCN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 |
|
8 |
FAR-UNI-9564ba6c-1 |
covalent_frag, covalent_warhead, acrylamide_adduct |
Cc1ccc(N(C(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 |
|
9 |
JOH-CHE-3504ac3d-1 |
covalent_warhead, acrylamide_adduct |
CC(=O)NCCc1c[nH]c2c1NC(=O)C1CC3(CN(C(=O)Cl)CCN3CC(=N)N)SC21 |
|
10 |
JOH-CHE-3504ac3d-3 |
covalent_warhead, acrylamide_adduct |
C=C(C)CCCc1c[nH]c2c1NC(=O)C1CC(CCCC(=N)N)SC21 |
|
11 |
JON-UIO-cc955e79-8 |
covalent_frag, covalent_warhead, chloroacetamide_adduct, nitrile, nitrile_adduct |
N#CC1=CCCC=C1C1=NC(SCC(=O)NC2=CCN=CC2C(F)F)=NC(O)C1C#N |
|
12 |
MAK-UNK-1cb0e944-3 |
covalent_warhead, acrylamide_adduct |
NS(=O)(=O)CCC(=O)Nc1cscc1CN1CCC(O)CC1 |
|
13 |
MAK-UNK-372b0df5-1 |
covalent_warhead, chloroacetamide_adduct |
Cc1ccncc1NC(=O)C1SCN(CS(C)(=O)=O)C1=O |
|
14 |
MAK-UNK-372b0df5-2 |
covalent_warhead, acrylamide_adduct |
Cc1ccncc1NC(=O)CCSCC(NC=O)S(C)(=O)=O |
|
15 |
MAK-UNK-372b0df5-3 |
covalent_warhead, acrylamide_adduct |
Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O |
|
16 |
MAK-UNK-5e88aa6a-5 |
covalent_warhead, acrylamide_adduct |
NS(=O)(=O)CCC(=O)Nc1cscc1CN1CCC(O)CC1 |
|
17 |
MAK-UNK-9159f8ed-1 |
covalent_frag, covalent_warhead, chloroacetamide_adduct |
COC(=O)c1cccc(NS(=O)(=O)CC(=O)Nc2cccc(N3CCCC3=O)c2)c1 |
|
18 |
MAK-UNK-b2c98f02-5 |
covalent_warhead, chloroacetamide_adduct |
O=C(Nc1cccnc1)C(C1CCCCC1)S(=O)(=O)NCCc1ccccc1 |
|
19 |
MAK-UNK-b2c98f02-6 |
covalent_warhead, acrylamide_adduct |
O=C(CC1(S(=O)(=O)NCCc2ccccc2)CCCCC1)Nc1cccnc1 |
|
20 |
MAK-UNK-c44f4be0-5 |
covalent_warhead, acrylamide_adduct |
CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1 |
|
21 |
MAK-UNK-c44f4be0-6 |
covalent_warhead, chloroacetamide_adduct |
CC(=O)NC(Cc1ccc(O)cc1)(C(=O)NCC#CBr)S(=O)(=O)NCCc1ccccc1 |
|
22 |
MAK-UNK-c44f4be0-8 |
covalent_warhead, chloroacetamide_adduct |
O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr |
|
23 |
MAK-UNK-f2409524-29 |
covalent_warhead, nitrile_adduct |
CC(=O)Nc1cnccc1CCCN/C(=N\C1CCCCC1)SC1OCC(O)C1O |
|
24 |
MAT-POS-bfefc3ea-1 |
covalent_warhead, nitrile_adduct |
C[C@@H]1CS/C(=N\NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C |
|
25 |
MAT-POS-bfefc3ea-4 |
covalent_warhead, acrylamide_adduct |
CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1 |
|
26 |
RAM-SYN-2a37ce6c-1 |
covalent_frag, covalent_warhead, chloroacetamide_adduct |
CC(C)(O)c1ccccc1CC[C@H](SC1(CC(=O)O)CC1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1 |
|
27 |
VIK-SYN-9a3d118a-5 |
covalent_frag, covalent_warhead, chloroacetamide_adduct |
CC(C)NC(=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 |
|
28 |
VIK-SYN-bf9c9ac8-4 |
covalent_warhead, chloroacetamide_adduct |
CNC(=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 |
|
29 |
WIL-LEE-364b6ea8-14 |
covalent_warhead, chloroacetamide_adduct |
O=C(NCC1=COCC=C1)C(=O)S(=O)(=O)[C@@H]1C=C(O)CC1 |
|
30 |
WIL-LEE-364b6ea8-16 |
covalent_warhead, acrylamide_adduct |
CC(=O)S(=O)(=O)CCC(=O)NC(=O)C(=O)c1ccccc1 |
|
31 |
WIL-LEE-364b6ea8-2 |
covalent_warhead, chloroacetamide_adduct |
O=C(NC(=O)S(=O)(=O)C(=O)/C=C/C=C/O)C(=O)S(=O)(=O)CC1=CCCC=C1 |
|
32 |
WIL-LEE-364b6ea8-21 |
covalent_warhead, chloroacetamide_adduct |
CNS(=O)(=O)CC(=O)N(C)C(=O)c1ccccc1C(=O)C(=O)C(=O)/C=C/CO |
|