180 SMILES Strings for Serine/threonine-protein kinase PknB

Compound Name
SMILES String
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
NNC(=O)CC(=O)NCc1ccco1
NNC(=O)CC(=O)Nc1ccc(cc1)C(O)=O
NNC(=O)CC(=O)Nc1ccccc1C(O)=O
NNC(=O)CC(=O)Nc1ccc(cc1)S(O)(=O)=O
CCCc1ccc(NC(=O)CC(=O)NN)cc1
CCCCc1ccc(NC(=O)CC(=O)NN)cc1
CCN(CC)c1ccc(NC(=O)CC(=O)NN)cc1
COc1ccc(NC(=O)CC(=O)NN)c(OC)c1
COc1ccc(OC)c(NC(=O)CC(=O)NN)c1
NNC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
NNC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1
NNC(=O)CC(=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
NNC(=O)CC(=O)Nc1ccc(cc1)[N+]([O-])=O
NNC(=O)CC(=O)Nc1cccc(c1)[N+]([O-])=O
NNC(=O)CC(=O)Nc1ccccc1[N+]([O-])=O
NNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
C1CC1c1cc(Nc2ccnc(n2)-c2cccnc2)[nH]n1
CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1 |r|
Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
Fc1ccc(cc1)-c1nc(Nc2ccn[nH]2)c2ccccc2n1
Cc1cc(Nc2nc(nc3ccccc23)-c2ccc(F)cc2)[nH]n1
Fc1ccc(cc1)-c1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1
C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
C1CC1c1cc(Nc2nc(NC3CCCCC3)nc3ccccc23)[nH]n1
C(Nc1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1)C1CC1
Fc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
NC(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
CS(=O)(=O)Nc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
CS(=O)(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
CS(=O)(=O)NCc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
N#Cc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
C1CC1c1cc(Nc2ccnc(NC3CCCCC3)n2)[nH]n1
CC(C)CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1
C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1
Fc1cccc(CCNc2nccc(Nc3cc(n[nH]3)C3CC3)n2)c1
Clc1ccccc1CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1
C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)C1CC1
C1CC1c1cc(Nc2ccnc(NC3CCCC3)n2)[nH]n1
CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2ccccc2)CC1
CN1CCC(CC1)Nc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 |r|
C(CN1CCCC1)Oc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N |r|
CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N
CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)C#N)CC1
CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)S(C)(=O)=O)CC1
CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N |r|
COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 |r|
CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cccc(c1)C#N |r|
NS(=O)(=O)c1ccc(s1)-c1ncc(F)c(Nc2cc([nH]n2)C2CC2)n1
COC(=O)N1CCCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
NC(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
N#Cc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
NS(=O)(=O)c1ccc(cc1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(c1)C#N
NS(=O)(=O)c1ccc(s1)-c1nccc(Nc2cc([nH]n2)C2CC2)n1
NS(=O)(=O)c1ccc(s1)-c1ncc(C#N)c(Nc2cc([nH]n2)C2CC2)n1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCNCC1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(CC#N)c1
OCc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
NC(=O)Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(cc1)C#N
NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
NS(=O)(=O)c1ccc(s1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
N#Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
NS(=O)(=O)c1cccc(c1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1
NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1
Cc1cnc(nc1Nc1cc([nH]n1)C1CC1)-c1ccc(s1)S(N)(=O)=O
Cc1cnc(nc1Nc1cc(C2CC2)n(C)n1)-c1ccc(s1)S(N)(=O)=O
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccccc1
Clc1ccc2nc(NC3CCC3)nc(Nc3cc([nH]n3)C3CC3)c2c1
CC(C)N1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
CN1CCN(CCC1=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
CC(=O)N1CCCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCOCC1
COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCNCC1
Cc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1
NC(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
NS(=O)(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(CC#N)cc1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCN(CC1)C(=O)c1ccccc1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCNC(=O)CC1
Fc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1
COC(=O)\C=C\C(=O)c1ccc(OC)cc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccnc2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
[H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@H]2C)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccnc(Cl)c2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccnc(NCc3ccccc3)c2)cc1C(F)(F)F
CNc1cc(ccn1)-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(Cl)cc2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(C)cc2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C#N)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)[N+]([O-])=O)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(F)c2)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1C(F)(F)F
COc1cccc(c1)-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(c2)C#N)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(c2)[N+]([O-])=O)cc1C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1C(F)(F)F
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(ncc1Cl)-c1ccccc1