PubChem CID |
SMILES |
Binding Protein |
Antagonists(IC50/μM) |
Receptor Protein |
Agonists(EC50/μM) |
Links |
4696 |
C1C=C2C(=CC(=O)O2)C(O1)O |
others |
* |
- |
- |
|
1268111 |
CC(=C)C(=O)/C(=C/C(=O)O)/OC |
others |
* |
- |
- |
|
14300 |
C1=C[N+](=CC=C1[N+](=O)[O-])[O-] |
LasR |
* |
- |
- |
|
4650 |
C1=CC(=O)C=CC1=O |
LuxR |
* |
- |
- |
|
16253 |
C1(=C(N=C(N1)Br)Br)Br |
LuxR |
* |
- |
- |
|
798 |
C1=CC=C2C(=C1)C=CN2 |
LuxR |
* |
- |
- |
|
67138 |
C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-] |
LuxR |
* |
- |
- |
|
637511 |
C1=CC=C(C=C1)/C=C/C=O |
LuxR |
* |
- |
- |
|
155655 |
CCCCCCCCC[C@]1(CC[C@H](C(=O)O1)C)CO |
LasR |
* |
- |
- |
|
70698462 |
CCCCCCC[C@@H]1C[C@H]1CCC(=O)O |
LasR |
* |
- |
- |
|
11065049 |
CCCCCCC[C@@H](C/C=C/CCC(=O)O)OC |
LasR |
* |
- |
- |
|
932 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
HAI-1 system (Vibrio sp.) |
* |
- |
- |
|
5280443 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
HAI-1 system (Vibrio sp.) |
* |
- |
- |
|
5280343 |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
HAI-1 system (Vibrio sp.) |
* |
- |
- |
|
5280863 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
HAI-1 system (Vibrio sp.) |
* |
- |
- |
|
9064 |
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
RhlR |
* |
- |
- |
|
290550 |
CC(C)C(=O)NCCC1=CC=CC=C1 |
against V. harveyi |
* |
- |
- |
|
119404 |
C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=C(C=C3)O |
against V. harveyi |
* |
- |
- |
|
442428 |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
QS inhibition (Yersinia enterocolitica) |
* |
- |
- |
|
442439 |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
QS inhibition (Yersinia enterocolitica) |
* |
- |
- |
|
10621 |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
QS inhibition (Yersinia enterocolitica) |
* |
- |
- |
|
5488186 |
C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O |
QS inhibition (Yersinia enterocolitica) |
* |
- |
- |
|
5380406 |
C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O |
QS inhibition (Yersinia enterocolitica) |
* |
- |
- |
|
338 |
C1=CC=C(C(=C1)C(=O)O)O |
AHL-dependent QS |
* |
- |
- |
|
637542 |
C1=CC(=CC=C1C=CC(=O)O)O |
AHL-dependent QS |
* |
- |
- |
|
5350 |
CS(=O)CCCCN=C=S |
LasR,RhlR |
* |
- |
- |
|
78160 |
CSCCCCN=C=S |
LasR,RhlR |
* |
- |
- |
|
5386591 |
C=CCSS/C=C/CS(=O)CC=C |
LasR,RhlR |
* |
- |
- |
|
10455 |
CS(=O)CCCN=C=S |
LasR,RhlR |
* |
- |
- |
|
65036 |
C=CCSS(=O)CC=C |
LasR,RhlR |
* |
- |
- |
|
11159352 |
C1=COC=C2C1=CC(=O)O2 |
RhlR |
* |
- |
- |
|
11469158 |
CC1=C2C=COC=C2OC1=O |
RhlR |
* |
- |
- |
|
11435036 |
CC1=CC2=CC(=O)OC2=CO1 |
RhlR |
* |
- |
- |
|
11389479 |
CC1=C2C(=CC(=O)O2)C=CO1 |
RhlR |
* |
- |
- |
|
- |
CC2=CC1=CC(=O)OC1=C(C)O2 |
RhlR |
* |
- |
- |
|
11321142 |
CC1=C2C=COC(=C2OC1=O)C |
RhlR |
* |
- |
- |
|
11286652 |
CC1=CC2=C(C(=O)OC2=CO1)C |
RhlR |
* |
- |
- |
|
11240796 |
CC1=CC2=C(C(=O)OC2=C(O1)C)C |
RhlR |
* |
- |
- |
|
445070 |
CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C |
PqsR |
* |
- |
- |
|
68313 |
CN(C)CCC1=CC=C(C=C1)O |
LasR,RhlR |
* |
- |
- |
|
71311447 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.O |
block AHL QS C. violaceum CV026, E. coli JB523 |
* |
- |
- |
|
72277 |
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
block AHL QS C. violaceum CV026, E. coli JB524 |
* |
- |
- |
|
75071 |
C1=CC(=C(C(=C1)Cl)C(=O)O)N |
block AHL QS C. violaceum CV026, E. coli JB525 |
* |
- |
- |
|
521142 |
C1=CC(=C(C(=C1)F)C(=O)O)N |
block AHL QS C. violaceum CV026, E. coli JB526 |
* |
- |
- |
|
5281605 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O |
block AHL QS C. violaceum CV026, E. coli JB527 |
* |
- |
- |
|
439202 |
C(CON=C(N)N)[C@@H](C(=O)O)N |
block AHL QS C. violaceum CV026, E. coli JB528 |
* |
- |
- |
|
969516 |
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
block AHL QS C. violaceum CV026, E. coli JB529 |
* |
- |
- |
|
65064 |
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
block AHL QS C. violaceum CV026, E. coli JB530 |
* |
- |
- |
|
5281416 |
C1=CC(=O)OC2=CC(=C(C=C21)O)O |
block AHL QS C. violaceum CV026, E. coli JB531 |
* |
- |
- |
|
16211025 |
C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O.O |
block AHL QS C. violaceum CV026, E. coli JB532 |
* |
- |
- |
|
445154 |
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O |
block AHL QS C. violaceum CV026, E. coli JB533 |
* |
- |
- |
|
- |
CCCCCCCC2=NC1=C(C=CC(=C1)Cl)C(=O)N2N |
PqsR |
* |
- |
- |
|
- |
CC1=NC=C(C(=C1O)C=NNC(=O)[C@H](C)O)CO |
PqsR |
* |
- |
- |
|
442793 |
CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
LasR |
* |
- |
- |
|
31211 |
CC(=O)CCC1=CC(=C(C=C1)O)OC |
TraR, LasR, RhlR and PqsR |
* |
- |
- |
|
23667548 |
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+] |
LasR, RhlR |
* |
- |
- |
|
10685 |
C1=CC=C2C(=C1)C(=CN2)CCO |
- |
* |
- |
- |
|
10393 |
C1=CC(=CC=C1CCO)O |
- |
* |
- |
- |
|
5275507 |
CC(=CCC/C(=C/CC/C(=C/C(=O)O)/C)/C)C |
- |
* |
- |
- |
|
717531 |
COC1=C(C=C(C=C1)/C=C/C(=O)O)OC |
- |
* |
- |
- |
|
72523 |
CCCCCCCCCCC[C@@H]1CCC[C@H](N1)C |
- |
* |
- |
- |
|
6621931 |
CC(C)CC(C(=O)NCC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C |
LuxN |
2.7 |
- |
- |
|
6622676 |
CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)OC |
LuxN |
2.9 |
- |
- |
|
1251414 |
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl |
LuxN |
2.6 |
- |
- |
|
729444 |
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NC3CCCC3 |
LuxN |
2.4 |
- |
- |
|
708341 |
CC(C)OC(=O)CSC1=NC2=CC=CC=C2N1 |
LuxN |
62.3 |
- |
- |
|
3148049 |
CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2CCSC2=O |
LuxR |
1.2 |
- |
- |
|
56672559 |
C1CSC(=O)C1NC(=O)CCCOC2=CC=C(C=C2)Cl |
LuxR |
0.723 |
- |
- |
|
56665646 |
C1COC(=O)C1NC(=O)CCCOC2=CC=C(C=C2)Cl |
LuxR,CviR |
0.295, 0.377 |
- |
- |
|
25258812 |
C1COC(=O)[C@H]1NC(=O)CCCCCCCCCC2=CC=CC=C2 |
LasR |
75 |
- |
- |
|
11848495 |
C1COC(=O)[C@H]1NC(=O)CC(=O)CCCCCCCC2=CC=CC=C2 |
LasR |
2 |
- |
- |
|
25258814 |
C1COC(=O)[C@H]1NC(=O)CCCCCCCCCCCC2=CC=CC=C2 |
LasR |
>100 |
- |
- |
|
25259491 |
C1COC(=O)[C@H]1NC(=O)CC(=O)CCCCCCCCCC2=CC=CC=C2 |
LasR |
4 |
- |
- |
|
11617 |
C=CCSCC=C |
LuxR |
* |
- |
- |
|
16590 |
C=CCSSCC=C |
LuxR |
* |
- |
- |
|
16315 |
C=CCSSSCC=C |
LuxR |
* |
- |
- |
|
75552 |
C=CCSSSSCC=C |
LuxR |
* |
- |
- |
|
133337 |
C=CC1SCC=CS1 |
LuxR |
* |
- |
- |
|
150636 |
C=CC1CC=CSS1 |
LuxR |
* |
- |
- |
|