134 SMILES Strings for Tyrosine-protein kinase ABL1/ABL2

Compound Name
SMILES String
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCCC1
Nc1ncnc2n(cc(-c3ccccc3)c12)C(CO)Cc1ccc(O)cc1
COc1cccc(c1)-c1cn(C2CC(C2)C(=O)NCCO)c2ncnc(N)c12 |(14.27,-.7,;13.8,-2.17,;12.3,-2.49,;11.27,-1.34,;9.75,-1.69,;9.28,-3.16,;10.32,-4.29,;11.83,-3.96,;9.85,-5.75,;10.78,-7,;9.87,-8.25,;10.36,-9.71,;9.66,-11.08,;11.04,-11.77,;11.72,-10.39,;11.29,-13.29,;12.72,-13.85,;10.08,-14.26,;10.32,-15.79,;9.13,-16.75,;9.36,-18.27,;8.39,-7.79,;7.05,-8.57,;5.71,-7.79,;5.71,-6.24,;7.05,-5.47,;7.04,-3.93,;8.39,-6.24,)|
Nc1ncnc2n(cc(-c3ccccc3)c12)C(CO)Cc1ccccc1
COc1cccc(c1)-c1cn(C2CCNC2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(C2CCN(C2)C(=O)OC(C)(C)C)c2ncnc(N)c12
NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1
O=C1NC(=O)c2cc3N(CCN(c4ccccc4)c3cc12)c1ccccc1
CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1N(C)c1ccccc1
COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(OC)cc2)cc1
CCN(CC)c1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(cc2)N(CC)CC)cc1
Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
O=C1NC(=O)c2cc(NC3CCCCC3)c(NC3CCCCC3)cc12
C1CCc2c(C1)[nH]c1ncnc(Nc3ccccc3)c21
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Cc1[nH]c2ncnc(Nc3cccc(F)c3)c2c1C
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1
Cc1c([nH]c2ncnc(Nc3cccc(Cl)c3)c12)-c1ccccc1
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Clc1cccc(Nc2ncnc3[nH]c(c(-c4ccccc4)c23)-c2ccccc2)c1
Clc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
Brc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Cc1[nH]c2ncnc(Nc3cccc(C)c3)c2c1C
Cc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc12
COc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
COc1cc(O)c2c(c1)n(C)cc(-c1cccc(Cl)c1)c2=O
Oc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl
COc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
Oc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CO
COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
CCOC(=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
CNc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc23)cc1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
COc1ccc(CC(CO)n2cc(-c3cccc(OC)c3)c3c(N)ncnc23)cc1
Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1
COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC1
COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)|
Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1
Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1
Nc1ncnc2n(cc(-c3ccccc3)c12)C1CC(O)C1 |(8.66,-6.66,;8.68,-8.19,;7.34,-8.98,;7.34,-10.53,;8.68,-11.3,;10.02,-10.52,;11.49,-10.99,;12.4,-9.74,;11.48,-8.49,;11.95,-7.02,;10.91,-5.89,;11.37,-4.43,;12.89,-4.08,;13.92,-5.22,;13.45,-6.7,;10.02,-8.98,;11.98,-12.45,;11.29,-13.82,;12.67,-14.51,;13.17,-15.96,;13.35,-13.13,)|
COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
COc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12
COc1ccc(CC(CO)n2cc(-c3ccccc3)c3c(N)ncnc23)cc1
COCCN(C)CCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
COC(=O)CN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
COC(=O)CN1CCC(C1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
COc1cccc(c1)-c1cn(C2CCN(CC(N)=O)CC2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(C2CCN(CC(N)=O)C2)c2ncnc(N)c12
NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1
COc1cccc(c1)-c1cn(C2CCN(CC(=O)N(C)C)CC2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1
COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(C2CCN(CCO)CC2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCNC1
COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nccc(n1)-c1cccnc1
CN(C)\N=N\c1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN(CO)N=Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
COCCN=NNc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1 |w:4.3|
Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
COCCN=NNc1cccc(Nc2nccc(n2)-c2cccnc2)c1 |w:4.3|
Cn1nnc2c(ncn2c1=O)C(N)=O
C(CN1CCOCC1)N=NNc1cccc(Nc2nccc(n2)-c2cccnc2)c1 |w:8.8|
CN(CCCl)\N=N\c1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
OC(=O)c1ccc(c(O)c1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
NCCNC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
c1cc(ccc1/C=C/[N+](=O)[O-])O
CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
COc1cc(\C=C\[N+]([O-])=O)ccc1O
COC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
C\C(=C/c1ccc(O)c(O)c1)[N+]([O-])=O
CCCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
COC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
CC(C)(C)OC(=O)NCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(C=C[N+]([O-])=O)cc1 |w:27.27|
COc1cc(\C=C\[N+]([O-])=O)ccc1OS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)[C@@H](O)[C@H]1O |r|
OC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
OC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)NCCN
Oc1ccc(\C=C\[N+]([O-])=O)cc1O
C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)N[C@H](C)C(=O)OC(C)(C)C
COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc4OCOc4c3)c2cc1OC
COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
CCOc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C
COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N
COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N
COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N