87 SMILES Strings for Protein tyrosine phosphatase type IVA 3

Compound Name
SMILES String
Nc1c[nH]c(=O)c2cc(sc12)-c1ccccc1
N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
O=c1[nH]c2sc(cc2c(=O)[nH]1)-c1ccccc1
O=C1NC(=O)C(=O)c2sc(cc12)-c1ccccc1
O=C1NC(=O)c2sc(-c3ccccc3)cc2C1=O
Cc1ccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)cc1
N=C1C(=O)NC(=O)c2cc(-c3ccc(Cl)cc3)sc21
N=c2c(=O)[nH]c(=O)c3cc(c1ccc(C(F)(F)F)cc1)sc23
N=C1C(=O)NC(=O)c2cc(-c3ccc(F)cc3)sc21
CC(C)(C)C(=O)Oc1ccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)cc1
N=C1C(=O)NC(=O)c2cc(-c3cccc(F)c3)sc21
N=c2c(=O)[nH]c(=O)c3cc(c1cccc(C(F)(F)F)c1)sc23
N=C1C(=O)NC(=O)c2cc(-c3cccc(Cl)c3)sc21
Cc1cccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)c1
COc1cccc(-c2cc3c(s2)C(=N)C(=O)NC3=O)c1
N=C1C(=O)NC(=O)c2cc(-c3ccccc3Cl)sc21
N=C1C(=O)NC(=O)c2cc(-c3ccccc3F)sc21
N=C1C(=O)NC(=O)c2cc(-c3ccc(Cl)c(F)c3)sc21
N=C1C(=O)NC(=O)c2cc(-c3ccc(F)c(Cl)c3)sc21
N=C1C(=O)NC(=O)c2cc(-c3ccc(OCCN4CCOCC4)cc3)sc21
N=C1C(=O)N(CC2CC2)C(=O)c2cc(-c3ccccc3)sc21
CN1C(=O)C(=O)c2sc(-c3ccccc3)cc2C1=O
CN1C(=O)C(=N)c2sc(-c3ccccc3)cc2C1=O
N=C1c2sc(cc2C(=O)NC1=O)-c1ccc(OCCCCOC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:24:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,24:25:28:32.31.30|
N=C1c2sc(cc2C(=O)NC1=O)-c1ccc(OCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:24:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,24:25:28:32.31.30|
N=C1c2sc(cc2C(=O)NC1=O)-c1ccc(OCC(=O)NCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:27:28:31.30.35:33,THB:29:30:33:37.28.36,29:28:31.30.35:33,36:28:31:35.34.33,36:34:31:37.29.28,27:28:31:35.34.33|
N=C1c2sc(cc2C(=O)NC1=O)-c1ccc(OCC(=O)NCCOCCOCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:32:33:36.35.40:38,THB:34:35:38:42.33.41,34:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33,32:33:36:40.39.38|
N=c2c(=O)[nH]c(=O)c3cc(c1ccc(C(F)(F)F)cc1)sc23
Cc3cccc(c2cc1c(=O)[nH]c(=O)c(=N)c1s2)c3
Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
OC(=O)c1ccccc1-c1ccc(C=C2SC(S)=NC2=O)o1 |w:13.13,c:18|
OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=S)N(C1=O)c1cccc(Cl)c1
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|
Clc1ccc(Cl)c(\C=C2/SC(=S)NC2=O)c1
Fc1ccc(\C=C2/SC(=S)NC2=O)cc1C#N
Cn1ccnc1\C=C1/SC(=S)NC1=O
FC(F)(F)c1ccc(Cl)cc1\C=C1/SC(=S)NC1=O
Fc1cc(F)c(\C=C2/SC(=S)NC2=O)c(F)c1
OC(=O)c1cc(\C=C2/SC(=S)NC2=O)ccc1O
[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1C(C)(C)[C@@H](O)CC[C@]21C)C=O |r,t:3|
N=C1c2sc(cc2C(=O)N(CCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O)-c1ccccc1 |TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCOc1ccc(cc1)-c1cc2c(s1)C(=O)C(=O)NC2=O |TLB:2:3:6.5.10:8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3,2:3:6:10.9.8|
SC1=NC(=O)C(S1)=Cc1ccccc1OCc1ccc(Br)cc1 |w:7.8,t:1|
Oc1nc(S)sc1Cc1cc(Br)ccc1OCc1ccccc1
SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1coc2ccccc12 |w:7.8,t:1|
SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Br |w:7.8,t:1|
CN(C)c1ccc(cc1)-c1ccc(OCc2ccccc2)c(C=C2SC(S)=NC2=O)c1 |w:22.23,c:28|
SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Cl |w:7.8,t:1|
SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccccc1 |w:7.8,t:1|
COc1cc(COc2cc3ccccc3cc2C=C2SC(S)=NC2=O)cc(OC)c1 |w:17.18,c:23|
SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1 |w:7.8,t:1|
SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccc(cc1)-c1ccccc1 |w:7.8,t:1|
Oc1ccc(Br)cc1C=C1SC(S)=NC1=O |w:8.8,c:13|
Fc1cccc(Cl)c1COc1cc2ccccc2cc1C=C1SC(S)=NC1=O |w:20.22,c:27|
SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1ccccc1 |w:7.8,t:1|
SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1csc2ccccc12 |w:7.8,t:1|
COc1cc(\C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)ccc1O |c:19,23|
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC(=NN3C2=N)c2cccnc2)o1 |c:21,t:18|
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
CCOc1cc(\C=C2/S\C(=N\c3cccc(c3)C(O)=O)N(C)C2=O)cc(Cl)c1O
CC1Oc2ccccc2C=C1\C=c1/sc2nc(\C=C\c3ccccc3)nn2c1=O |w:1.0,c:10|
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C
COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\NC(=O)NC1=O
COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1O |w:5.4,c:17|
OC(=O)c1cc(nc(Nc2nc3ccccc3s2)n1)-c1ccccc1
OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7|
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1
CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Oc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1O |w:5.4|
Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8|
c1ccc2nc(ccc2c1)-c1nnc2sc(nn12)-c1cnccn1
[O-][N+](=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
SC1=NC(=O)C(S1)=Cc1cn(nc1-c1cccc(OCc2ccccc2Cl)c1)-c1ccccc1 |w:7.8,t:1|
Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1O
COc1ccccc1COc1ccccc1C=CC=C1SC(S)=NC1=O |w:16.17,18.19,c:24|
C1C(=O)NC(=S)S1
Oc1ccc(\C=C(/C#N)C(=O)OCC=C)cc1Br
OC(=O)c1ccc[n+]2c([O-])c(sc12)-c1ccccc1
COc1cc(\C=C(/C#N)C(=O)OCC=C)cc(Br)c1O
COc1cc(\C=C(/C#N)C(=O)OC(C)C)cc(Br)c1O
CCOC(=O)C(=C\c1cc(Br)c(O)c(Br)c1)\C#N
CC(C)OC(=O)C(=C/c1ccc(O)c(Br)c1)\C#N