SMILES for Adenylate kinase isoenzyme 1

33 SMILES Strings for Adenylate kinase isoenzyme 1

Compound Name

SMILES String

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50277972

Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O

BDBM50277565

CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O

BDBM14487

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50367047

CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O

BDBM18137

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

BDBM50366480

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50367039

C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367042

Nc1ncnc2n(cnc12)C1O[C@H](CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50010309

CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50367038

CCC[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367045

CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367041

C[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367046

CCC[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367037

C[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367100

CC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50027448

CC1(C)O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r|

BDBM50367105

COP(O)(=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367104

Nc1ncnc2n(cnc12)C1O[C@@](COP(O)(O)=O)(CC=C)[C@@H](O)[C@H]1O |r|

BDBM50367103

CC[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50027446

CC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r|

BDBM50367107

Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50367099

CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50367102

CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50027451

CO[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50367101

CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|

BDBM50367109

C[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50222467

Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Br)nc12 |r|

BDBM50027455

CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r|

BDBM50367108

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H]1O

BDBM50367110

CN(C)c1nc(N)c2ncn(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50027447

CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O

BDBM50367098

CCC[C@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|