SMILES for Histone-lysine N-methyltransferase SETD2

51 SMILES Strings for Histone-lysine N-methyltransferase SETD2

Compound Name

SMILES String

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O

CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r|

CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r|

Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCN(CC1)S(C)(=O)=O |r|

CN1CCN(CC1=O)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)c1ccncc1 |r|

Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCOCC1 |r|

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F

Cc1cccnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1

Cc1cccc2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1

Cc1cccnc1C(NC(=O)c1nc2cccc(C)c2s1)C1CC1

CN(C1CCN(C1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O

CN(C1CCN(C1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O

CN(C)C1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

CN(C)C1CCN(CC1)c1cc(Cl)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

CN(C)C1CCN(CC1)c1cc(C)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F

Cc1cccc2cc([nH]c12)C(=O)Nc1ccccc1N1CCOCC1

Cc1cccnc1C(NC(=O)c1cc2ccc(F)c(C)c2[nH]1)C1CC1

Cc1cccnc1C(NC(=O)c1nc2cccc(C)c2[nH]1)C1CC1

Cc1cccnc1C(NC(=O)c1cc2cccc(C)c2s1)C1CC1

CN1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

Cc1cccnc1C(NC(=O)c1cn2c(C)cccc2n1)C1CC1

Cc1cccnc1C(NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C1CC1

Cc1cccnc1C(NC(=O)c1cc2cc(F)cc(C)c2[nH]1)C1CC1

Cc1ccc(F)c2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1

Cc1cccnc1C(NC(=O)c1cc2nccc(C)c2[nH]1)C1CC1

CCCc1cccc2cc([nH]c12)C(=O)NC(C1CC1)c1ncccc1C

Cc1cccnc1C(NC(=O)c1cc2cccc(C3CC3)c2[nH]1)C1CC1

Cc1cccnc1C(NC(=O)c1cc2ccccc2[nH]1)C1CC1

Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN

CC(=O)N1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

CC(=O)N1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

CC(=O)N1CCN(CC1)[C@@H]1CCC[C@@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

CC(=O)N1CCN(CC1)[C@H]1CCC[C@@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@H](C3)N4CCN(CC4)C(=O)C)F

[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

[H][C@@]12CCN(C(C)=O)[C@]1([H])CN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

[H][C@]12CCN(C(C)=O)[C@@]1([H])CCN2[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

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

Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1

c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|