167 SMILES Strings for DNA ligase 1

Compound Name
SMILES String
CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |r|
CCOC(=O)CC(NC(=S)NC(=O)c1ccccc1)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 |r|
CCOC(=O)CC(NC(=O)Nc1cccc(NC(=O)NC(CC(=O)OCC)C2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)c1)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 |r|
C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1
O=C(CCCCCCc1cccs1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccsc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccccn1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1cccnc1)c1ncc(o1)-c1ccccn1
Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
OC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Cc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
COc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
COc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Fc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
[O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
FC(F)(F)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
OC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
OC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CCCCCCc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CCCCCCc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(COc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1
O=C(COc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
O=C(CCCCC#Cc1ccccn1)c1ncc(o1)-c1ccccn1
O=C(CCCCC#Cc1cccnc1)c1ncc(o1)-c1ccccn1
O=C(CCCCC#Cc1ccncc1)c1ncc(o1)-c1ccccn1
O=C(CCCCC#Cc1ccccc1)c1ncc(o1)-c1ccccn1
CC(C)(C)OC(=O)Nc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
CC(C)(C)OC(=O)Nc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Fc1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Fc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Fc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
[O-][N+](=O)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
[O-][N+](=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
[O-][N+](=O)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
FC(F)(F)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
FC(F)(F)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
FC(F)(F)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1cccc(C#CCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CSCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CS(=O)CCCCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CS(=O)(=O)CCCCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCOCCCc1ccccc1)c1ncc(o1)-c1ccccn1
CN(CCCc1ccccc1)CCC(=O)c1ncc(o1)-c1ccccn1
O=C(CCCOCCc1ccccc1)c1ncc(o1)-c1ccccn1
CN(CCCC(=O)c1ncc(o1)-c1ccccn1)CCc1ccccc1
O=C(CCCCOCc1ccccc1)c1ncc(o1)-c1ccccn1
CN(CCCCC(=O)c1ncc(o1)-c1ccccn1)Cc1ccccc1
O=C(CCCCSCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCS(=O)Cc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCS(=O)(=O)Cc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCOc1ccccc1)c1ncc(o1)-c1ccccn1
CN(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1
O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCS(=O)c1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCS(=O)(=O)c1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCC(=O)c1ncc(o1)-c1ccccn1)NCCc1ccccc1
O=C(CCCC(=O)c1ncc(o1)-c1ccccn1)NCc1ccccc1
O=C(CCCCC(=O)c1ncc(o1)-c1ccccn1)Nc1ccccc1
OC(CCCCCc1ccccc1)C(=O)c1ncc(o1)-c1ccccn1
OC(CCCCc1ccccc1)CC(=O)c1ncc(o1)-c1ccccn1
OC(CCCc1ccccc1)CCC(=O)c1ncc(o1)-c1ccccn1
OC(CCCC(=O)c1ncc(o1)-c1ccccn1)CCc1ccccc1
OC(CCCCC(=O)c1ncc(o1)-c1ccccn1)Cc1ccccc1
OC(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1
COC(=O)CCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)CCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)CCCCC(=O)c1ncc(o1)-c1ccccn1
O=C(C1CC1)c1ncc(o1)-c1ccccn1
O=C(C1CCCC1)c1ncc(o1)-c1ccccn1
ClCC(=O)c1ncc(o1)-c1ccccn1
O=C(CCCCc1ccccc1)CC(=O)c1ncc(o1)-c1ccccn1
OC(CCCCCc1ccccc1)C(O)c1ncc(o1)-c1ccccn1
CN(CCCCc1ccccc1)CC(O)c1ncc(o1)-c1ccccn1
c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I
Clc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2cc(Br)ccc12
Oc1ccc(\C=N\Nc2cn[nH]c(=O)c2Cl)cc1[N+]([O-])=O
Clc1ccc2NC(c3cccn3C(=O)c2c1)c1ccc(Br)cc1
Clc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2ccccc12
Cc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2ccccc12
Clc1ccc2NC(=O)\C(=N/Nc3cn[nH]c(=O)c3Cl)c2c1
[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(O)=O |r,t:6|
COc1cc2c[n+](C)c3c(ccc4cc5OCOc5cc34)c2cc1OC
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
COC(=O)c1coc(=O)c2\C(=C\C=C\C)C=Cc12 |c:15|
CCCCCCCCCCCCCC1OC(=O)C(=C)C1C(O)=O
Nc1nc(S)nc(O)c1\N=C\c1ccccc1
Clc1c(N\N=C2/C(=O)Nc3ccccc23)cn[nH]c1=O
COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O
Cc1c(Br)cc(NCC(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)cc1Br
Clc1ccc2NC(c3cccn3C(=O)c2c1)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2cc(Cl)ccc12
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Fc1ccc(cc1)N1C(=O)\C(=N/Nc2cn[nH]c(=O)c2Cl)c2cc(Cl)ccc12
COc1ccc2c(c1)c(OC)[n+](C)c1c3cc4OCOc4cc3ccc21
Clc1c(N\N=C2/C(=O)N(c3ccc(Br)cc23)c2ccccc2)cn[nH]c1=O
C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
OC(=O)c1cccc2C(=O)C(=O)Nc12
Cc1c(Br)cc(NCC(=O)N\N=C/c2cc(ccc2O)[N+]([O-])=O)cc1Br
Nc1cc(S)cc(O)c1\N=C\c1ccccc1
Oc1ccc(CN=Nc2cn[nH]c(=O)c2Cl)cc1[N+]([O-])=O |w:6.5|
CSc1ccc(s1)C(O)=O
Oc1ccc(cc1)C(=O)c1ccccc1O
Cc1oc(cc1CSCc1cc(C(O)=O)c(C)o1)C(O)=O
COc1ccc(cc1)-c1cnc2c(n1)[nH]c(=O)[nH]c2=O
NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
OC(=O)CSc1cc(Cl)c2nonc2c1[N+]([O-])=O
CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
CC(C)Oc1nc(N)c(C(N)=O)c(O[C@H]2CCC[C@@H]2O)n1 |r|
C[C@H]1CC[C@@H](CC1)Oc1nc(N)c(C(N)=O)c(O[C@H]2CCC[C@@H]2O)n1 |r,wU:18.18,1.0,wD:22.24,4.7,(19.92,-13.96,;21.25,-14.73,;22.59,-13.97,;23.91,-14.74,;23.9,-16.28,;22.58,-17.05,;21.24,-16.28,;25.24,-17.05,;26.57,-16.28,;26.57,-14.74,;27.9,-13.97,;27.9,-12.43,;29.24,-14.73,;30.57,-13.96,;31.91,-14.72,;30.56,-12.42,;29.24,-16.28,;30.58,-17.05,;30.58,-18.59,;31.83,-19.5,;31.35,-20.96,;29.81,-20.96,;29.34,-19.5,;27.87,-19.03,;27.91,-17.05,)|
c1c(c(nc(n1)OC2CCCC2)N)C(=O)N
CC(Oc1ncc(C(N)=O)c(N)n1)C(O)=O
NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCC[C@H]1O |r|
NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@@H]1O |r|
NC(=O)c1c(N)nc(OC2CCCC2)nc1OC1CCCCC1F
NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1ccccc1F
NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1cccc(CCC(O)=O)c1
NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@@H]1CO |r|
COc1cc(NC[C@H]2CCCC(C2)Oc2nc(OC3CCCC3)nc(N)c2C(N)=O)cc(OC)c1 |r|
CC(C)Oc1nc(N)c(C(N)=O)c(OC2CCCCC2)n1
NC(=O)c1cnc(OCCF)nc1N
NC(=O)c1cnc(OC2CCCCC2)nc1N
C[C@H]1CCCC[C@H]1Oc1ncc(C(N)=O)c(N)n1 |r|
CC(C)Oc1ncc(C(N)=O)c(N)n1