110 SMILES Strings for G protein-coupled receptor kinase 6
Compound Name
SMILES String
C(NC1=NN=C(CS1)c1ccc(cc1)-c1ccccc1)c1ccco1 |c:4,t:2|
CC(=O)Nc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
CC(C)C1=C(O)C(=O)\C(=C/NCCCN2CCOCC2)c2c(O)c(c(C)cc12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCN3CCOCC3)c2c1O |c:3,t:39,(-8.03,-6.67,;-6.49,-6.67,;-5.72,-8,;-5.72,-5.33,;-6.49,-4,;-8.03,-4,;-5.72,-2.67,;-6.49,-1.33,;-4.18,-2.67,;-3.41,-1.33,;-4.18,,;-3.41,1.33,;-4.18,2.67,;-3.41,4,;-4.18,5.33,;-3.41,6.67,;-4.18,8,;-5.72,8,;-6.49,6.67,;-5.72,5.33,;-3.41,-4,;-1.87,-4,;-1.1,-2.67,;-1.1,-5.33,;-1.87,-6.67,;-1.1,-8,;-3.41,-6.67,;-4.18,-5.33,;1.1,-5.33,;1.87,-6.67,;1.1,-8,;3.41,-6.67,;4.18,-5.33,;5.72,-5.33,;6.49,-6.67,;8.03,-6.67,;5.72,-8,;6.49,-4,;8.03,-4,;5.72,-2.67,;6.49,-1.33,;4.18,-2.67,;3.41,-1.33,;4.18,,;3.41,1.33,;4.18,2.67,;3.41,4,;4.18,5.33,;5.72,5.33,;6.49,6.67,;5.72,8,;4.18,8,;3.41,6.67,;3.41,-4,;1.87,-4,;1.1,-2.67,)|
CC(C)c1c(O)c(O)c(\C=N\CCCN2CCOCC2)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(\C=N\CCCN3CCOCC3)c2c1O |(4,5,;2.67,4.23,;1.33,5,;2.67,2.69,;4,1.92,;5.33,2.69,;4,.38,;5.33,-.38,;2.67,-.38,;2.67,-1.92,;4,-2.69,;4,-4.23,;5.33,-5,;5.33,-6.54,;6.67,-7.31,;6.67,-8.85,;8,-9.62,;9.34,-8.85,;9.34,-7.31,;8,-6.54,;1.33,.38,;,-.38,;,-1.92,;-1.33,.38,;-1.33,1.92,;-2.67,2.69,;,2.69,;1.33,1.92,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;-4,-2.69,;-5.33,-1.92,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-8,-5,;-8,-1.92,;-9.34,-2.69,;-8,-.38,;-9.34,.38,;-6.67,.38,;-6.67,1.92,;-5.33,2.69,;-5.33,4.23,;-4,5,;-4,6.54,;-2.67,7.31,;-1.33,6.54,;,7.31,;,8.85,;-1.33,9.62,;-2.67,8.85,;-5.33,-.38,;-4,.38,;-4,1.92,)|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CCCCC(CC)CNC(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
CCCCCCn1c(N)c(C(=O)OC)c2nc3ccccc3nc12
CCCCCn1c(N)c(C(=O)OC)c2nc3ccccc3nc12
CCCCn1c(N)c(C#N)c2nc3ccccc3nc12
CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c12
CCN(CC)c1ccc(C2Nc3cccc4cccc(N2)c34)c(O)c1
CCN(CC)c1ccc(cc1)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O
CCNC(=S)N(CCO)Cc1cc2cc3OCOc3cc2[nH]c1=O
CCOC(=O)c1c(N)n(C2CC2)c2nc3ccccc3nc12
CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1
CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(O)c(O)c1
CCOc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
CCOc1ccc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)cn1 |r|
CCOc1cccc(=O)c2c(C)[nH]c(C)c12
CCOc1cccc(=O)c2c(C)n(c(C)c12)-c1ccc(C)cc1
CCc1cc(Nc2nc(NC3(CC3)c3ccc(Cl)cc3)nc3ccccc23)n[nH]1
CCc1cc(Nc2nc(NCCN3CCOCC3)nc3cccc(F)c23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cc(Cl)ccc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cc(F)ccc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccc(OC)cc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3cccc(F)c23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccc(F)cc3)nc3ccccc23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(F)c23)n[nH]1
CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(C)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3ccccc23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(N[C@@H](C)C3CCCCC3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(C)cc3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cc3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cc(Cl)ccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cc(F)ccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccc(F)cc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccc(OC)cc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(OC)cc3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(cn3)C#N)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3cccc(F)c3)nc3ccccc23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc3cccc(F)c23)n[nH]1 |r|
CCc1cc(Nc2nc(N[C@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1 |r|
CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CCn1c(COc2ccccc2)nnc1SCCC(O)=O
CCn1cnc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(F)c23)c1 |r|
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)[C@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)N(C)C |r,c:30,t:19|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccccc1
COc1cc(\C=C2\SC(=S)N(C2=O)c2cccnc2)ccc1O
COc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
COc1ccc(cc1)-c1cc(=O)oc2c(O)c(O)ccc12
COc1ccc(cc1)-c1cnc(o1)-c1cccnc1
COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1
Cc1cc(NC(c2ccccn2)c2ccc3cccnc3c2O)no1
Cc1ccc(c(NC2OC(CO)C(O)C2O)c1)[N+]([O-])=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)C1C(C#N)=C(N)Oc2cc(N)ccc12 |t:11|
Cc1ccc(o1)-c1ccccc1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1ccc2nc(NC=O)sc2c1
Cc1cccc(NC2=NC(=O)\C(S2)=C\c2ccc(O)c(O)c2)c1C |t:7|
Cc1cccc(c1)-c1nnc(SCC(O)=O)[nH]1
Cc1nc2ccccn2c1-c1csc(Nc2ccc(N)cc2)n1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
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
FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
Fc1cccc2nc(NCCc3ccccc3)nc(Nc3cc[nH]n3)c12
Fc1cccc2nc(NCCc3ccccc3)nc(Nc3ccon3)c12
NC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N
NC1=C(C#N)C(c2ccc(N)cc2O1)c1cc2cc3OCOc3cc2nc1Cl |c:1|
NC1=C(C#N)C(c2cccs2)c2ccc(N)cc2O1 |c:1|
Nc1ccc(CCc2nc3cc(N)ccc3o2)cc1
Nc1ccc2c3c1C(=O)OC3(O)c1ccccc1C2=O
O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N1CCCCC1
O=S(=O)(Nc1ccc(cc1)-n1cnnn1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
OC(=O)CSc1nnc([nH]1)-c1ccc(OC(F)(F)F)cc1
OC(=O)CSc1nnc([nH]1)-c1cccs1
OC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]12 |r,c:21|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1cccnc1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Oc1ccc(cc1)-c1nnc(NCCc2ccccc2)s1
Oc1ccc(cc1O)-c1nc2ccc3ccccc3c2c2CCCc12
[O-][N+](=O)c1cc(ccc1Cl)C1=NN=C(NCc2ccco2)SC1 |t:11,13|
c1cc2cccc3[nH]cnc(c1)c23