SMILES for Histone-lysine N-methyltransferase EZH2 [Y641N]

14 SMILES Strings for Histone-lysine N-methyltransferase EZH2 [Y641N]

Compound Name

SMILES String

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM190225

NC(CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|

BDBM764968

CCN(c1cc(OC2CN(C(=O)OC(C)(C)C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM764969

CCN(c1cc(OC2CNC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM190202

CCN(C1CCC(CC1)N(C)C)c1cc(OC2CN(C)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |(-5.33,.77,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;.24,-4.17,;1.33,-5.26,;1.33,-6.8,;2.42,-4.17,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;,5.39,;1.33,6.16,;1.33,7.7,;,8.47,;2.67,8.47,;4,7.7,;5.33,8.47,;4,6.16,;2.67,5.39,;2.67,3.85,;-2.67,.77,;-4,1.54,)|

BDBM764933

CCN(c1cc(O[C@H]2C[C@H](N3C[C@@H](C)O[C@@H](C)C3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1

BDBM50594147

CCN(C1CCC(F)(F)CC1)c1cc(O[C@H]2C[C@@H](C2)N2CCCCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:15.15,wD:17.20,(5.23,5.93,;3.89,5.16,;3.89,3.62,;5.23,2.85,;6.56,3.62,;7.9,2.85,;7.9,1.31,;8.67,-.02,;9.44,1.31,;6.56,.54,;5.23,1.31,;2.56,2.85,;2.56,1.31,;1.24,.54,;1.24,-1,;2.57,-1.77,;4.08,-1.36,;4.48,-2.85,;2.97,-3.26,;5.81,-3.62,;7.15,-2.85,;8.48,-3.62,;8.48,-5.16,;7.15,-5.93,;5.81,-5.16,;-.1,1.3,;-.1,2.85,;-1.44,3.62,;-1.44,5.16,;-2.77,2.85,;-4.1,3.62,;-5.44,2.85,;-5.43,1.31,;-4.1,.54,;-6.77,.54,;-8.1,1.31,;-9.44,.54,;-8.1,2.85,;-6.77,3.62,;-6.77,5.16,;1.23,3.62,;1.23,5.16,)|

BDBM764972

CCN(c1cc(O[C@H]2C[C@H](N3C[C@@H](C)O[C@@H](C)C3)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1

BDBM764973

CCN(c1cc(O[C@H]2C[C@H](N3C[C@@H](C)O[C@@H](C)C3)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CC2CCC(C1)O2

BDBM50594148

CCN(C1CCC(F)(F)CC1)c1cc(O[C@H]2C[C@@H](C2)N2CCCCC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C |r,wU:15.15,wD:17.20,(5.23,5.93,;3.89,5.16,;3.89,3.62,;5.23,2.85,;6.56,3.62,;7.9,2.85,;7.9,1.31,;8.67,-.02,;9.44,1.31,;6.56,.54,;5.23,1.31,;2.56,2.85,;2.56,1.31,;1.24,.54,;1.24,-1,;2.57,-1.77,;4.08,-1.36,;4.48,-2.85,;2.97,-3.26,;5.81,-3.62,;7.15,-2.85,;8.48,-3.62,;8.48,-5.16,;7.15,-5.93,;5.81,-5.16,;-.1,1.3,;-.1,2.85,;-1.44,3.62,;-1.44,5.16,;-2.77,2.85,;-4.1,3.62,;-5.44,2.85,;-5.43,1.31,;-4.1,.54,;-2.77,1.31,;-6.77,.54,;-8.1,1.31,;-9.44,.54,;-8.1,2.85,;-6.77,3.62,;-6.77,5.16,;1.23,3.62,;1.23,5.16,)|

BDBM764975

CCN(c1cc(OC2CC(N3CCCCC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM764976

CCN(c1cc(O[C@H]2C[C@H](N3CCCCC3)C2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM764977

CCN(c1cc(O[C@H]2C[C@H](N3CCCCC3)C2)cc(C(=O)NCc2c(O)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1

BDBM764978

CCN(c1cc(O[C@H]2C[C@H](N3CCCCC3)C2)cc(C(=O)NCc2c(CO)cc(C)[nH]c2=O)c1C)C1CCC(F)(F)CC1