47 SMILES Strings for Outer membrane protein MIP
Compound Name
SMILES String
CC(C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
CC(C)Nc1ccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)cc1
CC(C)Nc1cccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)c1
CC(C)OC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
CCC12CC3CC(C1)C(NC(=O)CN1C(=O)CC(C[C@@H](O)C4C[C@@H](C)C[C@H](C)C4=O)CC1=O)C(C3)C2 |r,wU:23.24,wD:26.27,19.20,TLB:1:2:8:5.34.4,34:33:7:5.4.3,THB:3:4:8:35.2.7,3:2:8:5.34.4,9:8:5.34.4:35.2.7,9:8:7:5.4.3,34:4:8.33.35:7,(12.61,5.88,;11.07,5.88,;10.3,4.55,;11.21,3.37,;10.44,2.06,;9.08,2.46,;8.18,3.53,;8.91,4.81,;6.52,3.02,;5.18,3.79,;3.85,3.02,;3.85,1.48,;2.52,3.79,;1.18,3.02,;-.15,3.8,;-.15,5.34,;-1.49,3.02,;-1.49,1.48,;-2.82,.71,;-4.15,1.48,;-4.15,3.02,;-5.49,.71,;-5.49,-.83,;-6.82,-1.6,;-6.82,-3.14,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-.15,.71,;1.18,1.48,;2.52,.71,;8.01,2.64,;8.94,1.47,;8.8,4.01,)|
CCOC(=O)C1CCCCN1C(=O)C(=O)C(C)CC
CCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
CCOC(=O)C1CCCCN1S(=O)(=O)c1cccc(c1)[N+]([O-])=O
CCOC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
COCCOc1cc(OCCOC)cc(c1)C(=O)NCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
COCCOc1cc(OCCOC)cc(c1)C(=O)OCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(N)c2)cc(OC)c1OC
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc(OC)c1OC
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC
COc1cc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC
COc1cc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1OC |r|
COc1cc(cc(OC)c1OC)C(=O)NC[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
COc1cc(ccc1O)C(=O)NCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
C[C@@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
C[C@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)N(C)C(C)(C)C)C(=O)C1 |r|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC(O)(C3)CC2(C)C4)C(=O)C1 |r,TLB:25:24:21:29.30.27,28:27:21:33.24.23,20:21:23:29.27.26,THB:26:27:21:33.24.23,26:24:21:29.30.27,32:31:23:29.27.26,20:21:29.30.27:33.24.23,30:31:23:29.27.26,30:27:21.31.33:23|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC2CC(C)(C3)C4)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:25:24:21:28.31.29,30:29:21:23.24.26,20:21:28.31.29:23.24.26,20:21:26:28.29.32,31:29:21.22.23:26,THB:32:29:21:23.24.26,32:24:21:28.31.29,31:22:26:28.29.32,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;8.91,4.81,;8.18,3.53,;9.08,2.46,;10.44,2.06,;11.45,.89,;8.94,1.47,;11.21,3.37,;1.18,1.48,;2.52,.71,;-.15,.71,)|
C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4CC2CC(O)(C4)C3)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:29:28:21:23.25.24,25:26:31:23.24.30,25:24:21.26.27:31,THB:30:24:21:27.28.31,30:28:21:23.25.24,20:21:23.25.24:27.28.31,20:21:31:23.24.30,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.18,3.53,;9.08,2.46,;10.44,2.06,;8.94,1.47,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;11.21,3.37,;8.91,4.81,;1.18,1.48,;2.52,.71,;-.15,.71,)|
Clc1ccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc2cccnc2)cc1 |r|
Clc1ccc(OCC(=O)N2CCCCC2C(=O)OCCCc2cccnc2)cc1
Clc1cccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc2cccnc2)c1 |r|
Fc1ccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc2cccnc2)cc1 |r|
Nc1ccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)cc1
Nc1cccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)c1
Nc1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1
O=C(OCCCc1cccnc1)C1CCCCN1S(=O)(=O)Cc1ccccc1
O=C(OCCCc1cccnc1)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 |r|
O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
O=C(OCCNC(=O)c1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
O=C(OCCOC(=O)c1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
O=C(OCCOc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
OCCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2CC |r,TLB:31:30:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4|
[H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccco1)C[C@@H]2C=C |r,TLB:20:19:7:2.3.4,30:29:7:2.3.4,THB:22:21:7:2.3.4|
[O-][N+](=O)c1ccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)cc1
[O-][N+](=O)c1cccc(CS(=O)(=O)N2CCCCC2C(=O)OCCCc2cccnc2)c1
[O-][N+](=O)c1cccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc2cccnc2)c1 |r|
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCC1C(=O)OCCCc1cccnc1