174 SMILES Strings for PAS domain-containing serine/threonine-protein kinase

Compound Name
SMILES String
CC(=O)NC1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1cc2ccccc2o1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(C)s1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(Cl)cc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)c(F)c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(OC(F)(F)F)cc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)C#N)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)N1CCOCC1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc(cc1)S(C)(=O)=O)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCCOc2c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2[nH]ccc2c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2nccn2c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1cccc(F)c1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1F)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1cccnc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccco1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1cccs1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1ccncc1)C(O)=O
CC(C)N(C)c1nc2cc(ccc2nc1-c1cnc2ccccc2c1)C(O)=O
CC(C)Nc1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CC(C)c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CC1CCCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CC1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CC1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O |w:1.0|
CC1COCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CCC(C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CCCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCC1
CCN(CC)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CCOC(=O)c1ccc2nc(N3CCC(CC3)c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
CC[C@@H](C)N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CCc1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
CCc1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
CCn1ncc2cc(ccc12)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(Cl)cc1
CCn1ncc2cc(ccc12)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(F)cc1
CCn1ncc2cc(ccc12)-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1Cl
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C1CC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CN(C1CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O)C(C)=O
CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)C(C)=O
CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)S(C)(=O)=O
CN(C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccc1
CN(C1CCNCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CN(C1CCOCC1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CN(CCc1ccccc1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CN(c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)S(C)(=O)=O
CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CN1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CN1CCN(CC1=O)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
CNC(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1
CNC(=O)c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)Nc1ccccc1
COC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccccc1
COC(=O)c1ccc2nc(c(Br)nc2c1)-c1ccccc1
COCC1CCCN(C1)c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O |r|
COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
COc1cc(ccc1Cl)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(Cl)cc1
COc1cc(ccc1Cl)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(F)cc1
COc1ccc(cc1)-c1cc(=O)n2nc(C)nc2[nH]1
COc1ccc(cc1)-c1cc(=O)n2nc(Cc3ccccc3)nc2[nH]1
COc1ccc(cc1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
COc1ccc(cc1)-c1cc(=O)n2ncnc2[nH]1
COc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccccc1
COc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(OC)cc1)-c1nnn[nH]1
COc1ccc(cc1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
COc1ccc(cc1)C1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O
COc1ccc(cc1)N1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
COc1ccc(cc1OC)-c1cc(=O)n2ncnc2[nH]1
COc1ccc2N(CCCc2c1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
COc1cccc(c1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
COc1cccc(c1)-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
COc1ccccc1-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
COc1ccccc1-c1nc2ccc(cc2nc1N(C)C(C)C)C(O)=O
CS(=O)(=O)N1CCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
C[C@@H](N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@H](N(C)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccc1
C[C@H]1CCCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O |r|
C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O
C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O
C[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
C[C@H]1CN(CCN1c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(O)=O)c1ccccn1 |r|
C[C@H]1CN(CCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O)c1ccccn1 |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccccc1-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2nn[nH]c2c1
Cc1nc2[nH]c(cc(=O)n2n1)-c1ccc2OCCOc2c1
Cc1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
Cc1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Clc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2OCOc2c1
Clc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
Clc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
Clc1ccc(cc1Cl)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
Clc1ccc(cc1Cl)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
Clc1cccc(c1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
Clc1cccc(c1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
Clc1ccccc1-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2nn[nH]c2c1
Clc1ccccc1-c1nc2[nH]c(cc(=O)n2n1)-c1ccccc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Fc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]ncc2c1
Fc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2[nH]nnc2c1
NC(=O)c1nc2[nH]c(cc(=O)n2n1)-c1ccc2nn[nH]c2c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=c1cc([nH]c2nc(Cc3ccccc3)nn12)-c1ccc2OCCOc2c1
O=c1cc([nH]c2nc(Cc3ccccc3)nn12)-c1ccc2OCOc2c1
O=c1cc([nH]c2nc(Cc3ccccc3)nn12)-c1ccc2[nH]nnc2c1
O=c1cc([nH]c2nc(nn12)-c1ccccc1)-c1ccc2[nH]nnc2c1
O=c1cc([nH]c2nc(nn12)-c1ccccc1)-c1ccccc1
O=c1cc([nH]c2nc(nn12)-c1ccccn1)-c1ccc2OCCOc2c1
O=c1cc([nH]c2nc(nn12)-c1ccccn1)-c1ccc2OCOc2c1
O=c1cc([nH]c2nc(nn12)-c1ccccn1)-c1ccc2[nH]ncc2c1
O=c1cc([nH]c2nc(nn12)-c1ccccn1)-c1ccc2[nH]nnc2c1
O=c1cc([nH]c2ncnn12)-c1ccc2OCCOc2c1
OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCC1
OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCCCCC1
OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCNC(=O)C1
OC(=O)c1ccc2nc(-c3ccc(F)cc3)c(nc2c1)N1CCS(=O)(=O)CC1
OC(=O)c1ccc2nc(-c3ccc4OCOc4c3)c(nc2c1)N1CCCc2ccccc12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-n1ccc2ccccc12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccc(Cl)cc1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccc(cc1)C(F)(F)F
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1cccc(Cl)c1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCC2CCCCC12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCC1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCCC1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCC[C@@H]1C(F)(F)F
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCc2ccccc12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(Cl)cc1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccc2ccccc2n1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1cccc(Cl)c1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ccccn1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCN(CC1)c1ncccn1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCNCC1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCOCC1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCOc2ccccc12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCS(=O)(=O)CC1
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCc2ccccc12
OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCc2ccccc2C1
OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(Cl)cc3)c(nc2c1)-c1ccc(F)cc1
OC(=O)c1ccc2nc(N3CCC(CC3)c3ccc(cc3)C(F)(F)F)c(nc2c1)-c1ccc(F)cc1
OC(=O)c1ccc2nc(N3CCC(CC3)c3cccc(Cl)c3)c(nc2c1)-c1ccc(F)cc1
OC(=O)c1ccc2nc(N3CCC(CC3)c3ccccc3)c(nc2c1)N1CCC(CC1)c1ccccc1
OC(=O)c1ccc2nc(N3CCCCC3)c(nc2c1)-c1ccccc1
OC(=O)c1ccc2nc(N3CCCCCC3)c(nc2c1)-c1ccccc1
OC(=O)c1ccc2nc(N3CCN(CC3)c3ccccn3)c(nc2c1)-c1ccc(F)cc1
OC(=O)c1ccc2nc(c(NC3CCCCC3)nc2c1)-c1ccccc1
OC(=O)c1ccc2nc(c(NCCc3ccccc3)nc2c1)-c1ccccc1
OC[C@@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
OC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
O[C@@H]1CCN(C1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O
O[C@H]1CCN(C1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O