171 SMILES Strings for Tyrosine-protein phosphatase YopH

Compound Name
SMILES String
COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1
COCCCNC(=O)C1CCCN(C1)C(=O)Nc1ccc(OC)cc1
COc1ccccc1NC(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OCC=C |t:1|
CCCCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N
Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
CCOC(=O)C(NC(=O)Nc1ccccc1)(OCC)C(F)(F)F
COc1ccc(cc1)-n1nc2ccccc2n1
CCC(=O)N1Cc2ccccc2-c2ccccc2C1=O
Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1cccs1
[H][C@]12[C@@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1cccc(Cl)c1)C(C)=O |c:4|
Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1 |w:6.6|
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(ccc2OC)-c2nnnn2C(C)C)cc1
CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1=O
CCn1c(n[nH]c1=S)-c1cc(OC)c(OC)c(OC)c1
COc1ccc2n(CC(=O)NCc3ccco3)c(C)cc(=O)c2c1
Nc1nnc2CCCCc2n1
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1C)C(=O)c1ccco1 |c:4|
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4|
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1
CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1
COc1cc(ccc1O)C1C(C(=O)OC(C)C)C(C)=Nc2[nH]c(=O)[nH]c(=O)c12 |c:19|
Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
CCN(CC)CCCNC(=O)Cc1c(C(O)=O)n(C)c2ccccc12
Oc1ccc2oc(=O)c3N(CCCc3c2c1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
CCOC(=O)c1c(C)oc2c1c(C=NCc1ccccn1)c(O)c1ccccc21 |w:13.14|
Cc1nc2sc(C(N3CCOCC3)c3ccc(C)cc3)c(O)n2n1
COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC |(20.08,.82,;18.62,1.3,;17.47,.27,;17.79,-1.24,;16.01,.74,;14.86,-.29,;13.4,.19,;12.92,1.65,;11.38,1.65,;10.91,.19,;9.44,-.29,;8.3,.74,;6.83,.27,;6.51,-1.24,;5.69,1.3,;4.22,.82,;3.08,1.85,;3.4,3.36,;4.86,3.83,;5.19,5.34,;6.01,2.8,;12.15,-.72,;12.15,-2.26,;13.49,-3.03,;13.49,-4.57,;12.15,-5.34,;10.82,-4.57,;10.82,-3.03,;9.49,-2.26,;8.15,-3.03,)|
[O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
Cc1ccc2c(C)[nH]c(=O)cc2c1
O=C(N1CCN=C1SCc1cccnc1)c1cccs1 |c:5|
CC(N1CCc2ccccc2C1)C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21
CCOC(=O)COc1cc(=O)n(CC)c2ccccc12
CCOC(=O)N1CCN(CC1)C(=O)Cn1c(C)cc2ccccc2c1=O
CC1CCN(CCC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1
CN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1
Cc1onc(c1C(=O)NCc1ccccn1)-c1ccccc1
Cn1c(COc2ccccc2)nnc1SCc1nc2ccccc2[nH]1
OC(=O)C(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
[H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ncc(CC(=O)OC)s1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
CC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)n2c3CCCCc3c3ccccc23)n1C
CCN1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1
O=C(CSc1nnc(o1)-c1ccccc1)n1c2CCCCc2c2ccccc12
Cc1csc(n1)N1CCc2ccccc12
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1
CN1CCC(CC1)OC(=O)c1cc(Br)c(C)c(C)c1C
CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C
CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)c(C)c1
Cc1oc2ccccc2c1-c1cn2CCSc2n1
COCCCNC(=O)CCCC(=O)NCCCOC
O=C(CSc1nnc[nH]1)c1ccc2OCOc2c1
COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N1CCCCCC1 |(5.45,-5.09,;6.48,-3.94,;7.99,-4.26,;8.47,-5.72,;9.97,-6.04,;11,-4.9,;10.52,-3.43,;9.02,-3.11,;8.54,-1.65,;9.44,-.41,;10.98,-.41,;8.54,.83,;7.08,.36,;5.75,1.13,;4.41,.36,;4.41,-1.18,;3.08,-1.95,;5.75,-1.95,;7.08,-1.18,;5.75,2.67,;7.13,3.34,;7.48,4.84,;6.52,6.04,;4.98,6.04,;4.02,4.84,;4.36,3.34,)|
O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
COc1cccc(c1)-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc3C2)c(C)o1
CCCNc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1
Cc1n[nH]c(C)c1CCCCOc1cccc(C)c1
CN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O
ON(C1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1
CCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:7|
Cc1cc(C)nc(SCC(=O)Oc2ccc3oc(=O)cc(C)c3c2)n1
O=C(CN1C(=O)CCC1=O)N1c2ccccc2Sc2ccccc12
COC(=O)C1C(C(C)C)N(OC1(C)O)c1ccccc1
CC(C)N(C(C)C)C(=O)COc1ccc(Br)cc1Cl
CCO\C=C1/C(=O)N(C(=O)c2ccccc12)c1ccccc1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1C
Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
O=S(=O)(N1CCC(CC1)c1nc(no1)-c1ccncc1)c1ccc2ccccc2c1
Cc1ccc(CSCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1
C(CNc1ncnc2scc(-c3ccccc3)c12)CN1CCOCC1
CCOc1ccc(cc1OC)C(=S)N1CCOCC1
N#Cc1cn(Cc2ccccc2C#N)c2ccccc12
O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10|
CCN(CC)c1ccc(C=Nc2ccccc2)c(O)c1 |w:10.10|
Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
[O-][N+](=O)c1ccc(N[NH+]=C([N-]c2ccccc2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 |w:8.7|
COc1ccc(NC2=C(CCc3c2c(C)nn3-c2ccccn2)C=Nc2ccc(OC)cc2)cc1 |w:24.27,t:7|
CC(C)(C)c1cc(OC(=O)c2ccncc2)ccc1O
COc1cc(NCCCCCCCN)c2ncccc2c1
Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C)cc1
CCCCCCCC1=CC2=CC(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1 |c:22,t:7,9|
COc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1OC
CSc1nsc(CC=Nc2ccc(Cl)cc2)c1C#N |w:8.8|
Oc1cc2c(CN3CCN(CC3)c3ccccc3F)cc(=O)oc2cc1-c1ccccc1
[H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
COCCCNC(=O)CC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
[O-]\[N+](=C/c1ccc(F)cc1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1csc2SCC[n+]12
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1nnc(s1)C(F)(F)F |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
Clc1ccc(CSc2nnc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)s2)cc1 |c:20|
Cc1ccccc1\[N+]([O-])=C\c1ccncc1
Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
CCOC(=O)[C-](\N=[NH+]\c1ccc(F)cc1)C(=O)c1ccc(cc1)[N+]([O-])=O
COc1ccc(CN2C(=O)C(C=NOCc3ccc(F)cc3)c3ccccc3C2=O)cc1 |w:12.12|
Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
CCOC(=O)c1nc(C)n(n1)-c1ccc(Cl)cc1
Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
CCN(CC)c1ccc(CN=Nc2ccccc2)c(O)c1 |w:10.9|
CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30|
COc1ccc(NC(=O)C(\NC(=O)c2cccs2)=C\c2cccnc2)cc1
O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
OC1C(Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)OC(C(O)C1O)C(O)=O
COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:10|
CN1c2ccccc2N(C)C1(C)c1ccccc1
CCN1c2ccccc2N(C)C1(C)c1ccccc1
COc1ccc(C=NNC(=O)C(C)n2cnc3ccccc3c2=O)cc1OC |w:7.7|
[O-][N+](=O)c1ccc(\C=C\C(=O)OCC(=O)N2c3ccccc3Sc3ccccc23)cc1
COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1
CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
OC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
S=c1[nH]nc(-c2ccccc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2([C@@H]3N1C=Cc1ccccc31)C(=O)Nc1ccccc21 |c:25|
CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Cl)cc1
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
CCOc1ccc(cc1)-c1nnc2ccc(SCC(=O)Nc3nc4ccccc4s3)nn12
CCN1CCC2(CC1)N=C(C(=S)N2C(=O)c1ccc(C)cc1)c1ccc(F)cc1 |c:9|
CN1CCC2(CC1)N=C(C(=S)N2C(=O)c1ccc(C)cc1)c1ccc(F)cc1 |c:8|
[#6]-[#8]-c1ccccc1-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6](\C#N)-c1nc2ccccc2s1 |c:11,14|
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1F)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
CCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O
O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|
OC(=O)c1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc12
CCO\C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
CC1(C)COC(\C=C\c2ccc(cc2)[N+]([O-])=O)=N1 |c:17|
COc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
CN(C1CCS(=O)(=O)C1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:10|
O=C([C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1)c1ccccc1
Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
CCN(CC)c1ccc(CN=Nc2ccc(C)cc2)c(O)c1 |w:10.9|
CCN(CC)c1ccc(CN=Nc2cccc(C)c2)c(O)c1 |w:10.9|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1
COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c2ccccc2n1
CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
COc1ccc(C=Nn2c3nncn3nc(c2=O)C(C)(C)C)cc1 |w:7.7|
CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
CC(C)COC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Clc1ccc2C(=O)N(Cc3ccc(cc3)S(=O)(=O)N3CCOCC3)C(=O)c3cccc1c23
Oc1c2C3OC(C=C3)c2c(O)n1-c1ccc(cc1)S(=O)(=O)N1CCCC1 |c:6|
O=C(\C=C\c1ccc2ccccc2c1)c1ccc2ccccc2c1
FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1
[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1
c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3
CC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)S(=O)(=O)NN=Cc1ccc(Cl)c(Cl)c1 |w:23.26,c:4|
COc1ccc2nc(Cl)c(\C=C\C(=O)c3ccc4ccccc4c3)cc2c1
[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccc3ccccc3c2)c1
O=C(\C=C\c1ccccc1)c1ccc2ccccc2c1
O=C(\C=C\c1cccc2ccccc12)c1ccc2ccccc2c1
Clc1nc2ccccc2cc1\C=C\C(=O)c1ccc2OCOc2c1
S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
[O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O