SMILES for Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S]

77 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S]

Compound Name

SMILES String

CC(C)(O)C12CC(C1)N(C2)c1cc(cc(F)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:26.30,(6.17,-5.11,;6.64,-3.64,;8.15,-3.32,;7.12,-2.18,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.2,-1.71,;3.46,-1.25,;4.08,-2.66,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.59,-1.75,;-1.62,-2.9,;.92,-2.07,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,)|

BDBM523119

CC(C)(O)C12CC(C1)N(C2)c1cc(ccn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N |r,wD:25.29,(6.17,-5.11,;6.64,-3.64,;8.15,-3.32,;7.41,-2.31,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.2,-1.71,;3.46,-1.25,;4.08,-2.66,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.59,-1.75,;.92,-2.07,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,)|

BDBM523127

CC(C)(O)C12CC(C1)N(C2)c1cc(ccn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |(8.29,-2.49,;7.04,-1.59,;7.2,-.06,;8.45,-.96,;5.64,-2.21,;5.32,-3.72,;3.78,-3.88,;4.55,-2.55,;3.16,-2.47,;4.3,-1.44,;1.65,-2.15,;1.18,-.69,;-.33,-.37,;-1.36,-1.51,;-.89,-2.98,;.62,-3.3,;-.81,1.1,;.1,2.34,;-.81,3.59,;-2.27,3.11,;-3.61,3.88,;-4.94,3.11,;-4.94,1.57,;-3.61,.8,;-2.27,1.57,;-6.27,.8,;-7.04,-.53,;-5.5,-.53,;-4.73,-1.87,;-3.96,-.53,;-7.36,1.89,;-8.45,2.98,)|

BDBM523090

CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2c(F)cc(cc12)C1(CC11CC1)C#N |(8.29,-3.26,;7.04,-2.36,;7.2,-.83,;8.45,-1.73,;5.64,-2.98,;5.32,-4.49,;3.78,-4.65,;4.55,-3.32,;3.16,-3.24,;4.3,-2.21,;1.65,-2.92,;1.18,-1.46,;-.33,-1.14,;-1.36,-2.28,;-.88,-3.75,;.62,-4.07,;-.81,.33,;.1,1.57,;-.81,2.82,;-2.27,2.34,;-3.6,3.11,;-3.6,4.65,;-4.94,2.34,;-4.94,.8,;-3.6,.03,;-2.27,.8,;-6.27,.03,;-7.04,-1.3,;-5.5,-1.3,;-4.73,-2.64,;-3.96,-1.3,;-7.36,1.12,;-8.45,2.21,)|

BDBM523113

CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2cc(F)c(cc12)C1(CC11CC1)C#N |(6.17,-5.11,;6.64,-3.64,;8.15,-3.32,;7.12,-2.18,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;3.46,-1.25,;4.08,-2.66,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.59,-1.75,;.92,-2.07,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-5.97,5.11,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,)|

BDBM523107

CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |(6.17,-5.11,;6.64,-3.64,;8.15,-3.32,;7.12,-2.18,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;3.46,-1.25,;4.08,-2.66,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.59,-1.75,;.92,-2.07,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,)|

BDBM523076

CC(C)(O)C1CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523074

CC(C)(O)C1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523121

CC(C)(O)[C@@H]1CCN(C1)c1cc(ccn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523120

CC(C)(O)[C@@H]1CCN(C1)c1cc(ccn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N |r|

BDBM523125

CC(C)(O)[C@@H]1CCN(C1)c1cc(ccn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |r|

BDBM523129

CC(C)(O)[C@@H]1CCN(C1)c1cc(cnn1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N |r|

BDBM523117

CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2cc(F)c(cc12)C1(CC11CC1)C#N |r|

BDBM523109

CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |r|

BDBM523087

CC(C)(O)[C@@H]1CN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523086

CC(C)(O)[C@H]1CN(C[C@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523063

CC1(O)CC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)[C@@]2(CC22CC2)C#N)C1 |r|

BDBM523062

CC1(O)CC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)[C@]2(CC22CC2)C#N)C1 |r|

BDBM523073

CC1(O)CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523043

CC1C(CCN1c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)C(C)(C)O |r|

BDBM523042

CC1C(CCN1c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N)C(C)(C)O |r|

BDBM523051

CC1CN(CC1C(C)(C)O)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523050

CC1CN(CC1C(C)(C)O)c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N |r|

BDBM523102

CCc1cc(nc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523103

CCc1nc(C)cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523088

CN1CCOC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)[C@@]2(CC22CC2)C#N)C1 |r|

BDBM523131

CN1CCOC2CN(C[C@@H]12)c1cc(nc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523101

CNc1nc(C)cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523034

CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |THB:4:24:27:29,(-4.92,1.29,;-3.89,.15,;-2.38,.47,;-1.9,1.93,;-.4,2.25,;.63,1.11,;.16,-.36,;-1.35,-.68,;1.19,-1.5,;2.72,-1.34,;3.35,-2.75,;2.2,-3.78,;2.2,-5.32,;.87,-6.09,;-.47,-5.32,;-.47,-3.78,;.87,-3.01,;-1.8,-6.09,;-3.32,-6.36,;-2.79,-4.91,;-3.78,-3.73,;-2.26,-3.46,;-1.27,-7.54,;-.75,-8.98,;.08,3.72,;-.9,4.84,;.59,5.2,;1.96,6,;1.49,4.04,;2.93,3.48,;.02,6.63,;-.56,8.06,;1.44,7.21,;-1.41,6.05,)|

BDBM523036

CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC[C@@H](C1)C(F)F |r|

BDBM523032

CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC[C@H](C1)C(C)(C)O |r|

BDBM523065

COC1(CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)C(C)(C)O |r|

BDBM523064

COC1(CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N)C(C)(C)O |r|

BDBM523135

COCC12CC(C1)N(C2)c1cc(nc(C)n1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |(8.67,-4.79,;7.64,-3.64,;6.13,-3.96,;5.1,-2.82,;5.42,-1.31,;4.09,-.54,;4.09,-2.08,;2.94,-1.57,;3.57,-2.98,;1.43,-1.25,;.96,.21,;-.55,.53,;-1.58,-.61,;-1.1,-2.07,;-2.13,-3.22,;.4,-2.39,;-1.02,2,;-.12,3.25,;-1.02,4.49,;-2.49,4.02,;-3.82,4.79,;-5.16,4.02,;-5.16,2.48,;-3.82,1.71,;-2.49,2.48,;-6.49,1.71,;-7.26,.37,;-5.72,.37,;-4.95,-.96,;-4.18,.37,;-7.58,2.79,;-8.67,3.88,)|

BDBM523096

COCc1cc(nc(N)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523100

COCc1nc(C)cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523077

COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CC(C1)OC |r|

BDBM523085

COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CCN(C2COC2)[C@@H](C)C1 |r|

BDBM523084

COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CCN(C2COC2)[C@H](C)C1 |r|

BDBM523078

COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1C[C@H](C)N(C2COC2)[C@H](C)C1 |r|

BDBM523040

COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1C[C@H](C)[C@](C)(O)[C@H](C)C1 |r|

BDBM523030

COc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.14,-4.36,;-1.62,-2.9,;-.59,-1.75,;.92,-2.07,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,;3.46,-1.25,;4.08,-2.66,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;6.64,-3.64,;8.15,-3.32,;6.17,-5.11,;7.12,-2.18,)|

BDBM523041

COc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1C[C@H](C)[C@](C)(O)[C@H](C)C1 |r|

BDBM523089

CS(=O)(=O)N1CCN(CC1)c1cc(ccn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523079

CS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523055

C[C@@H]1CN(CCN1C1CCOC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523054

C[C@@H]1CN(CCN1C1CCOC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N |r|

BDBM523038

C[C@@H]1CN(CCN1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523061

C[C@H]1CN(CCN1C1CCOC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523058

C[C@H]1CN(CCN1C1CCOC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N |r|

BDBM523123

C[C@H]1CN(CCN1C1COC1)c1cc(cc(F)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523124

C[C@H]1CN(CCN1S(C)(=O)=O)c1cc(ccn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523080

C[C@H]1CN(CCN1S(C)(=O)=O)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523072

C[C@H]1CN(C[C@@H](C)N1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523039

C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523111

C[C@H]1CN(C[C@@H](C)[C@@]1(C)O)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |r|

BDBM523134

Cc1cc(cc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523098

Cc1cc(nc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523106

Cc1cc(nc(CO)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523095

Cc1cc(nc(N)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523099

Cc1cc(nc(n1)C1CC1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523136

Cc1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523104

Cc1nc(CO)cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|

BDBM523092

Cc1nc(cc(n1)-n1ncc2c(F)cc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.92,-4.77,;-.88,-3.63,;.62,-3.95,;1.65,-2.8,;1.18,-1.34,;-.33,-1.02,;-1.36,-2.16,;-.81,.45,;.1,1.69,;-.81,2.94,;-2.27,2.46,;-3.6,3.23,;-3.6,4.77,;-4.94,2.46,;-4.94,.92,;-3.6,.15,;-2.27,.92,;-6.27,.15,;-7.04,-1.18,;-5.5,-1.18,;-4.73,-2.52,;-3.96,-1.18,;-7.36,1.24,;-8.45,2.33,;3.16,-3.12,;4.3,-2.09,;5.64,-2.86,;5.32,-4.37,;3.78,-4.53,;4.55,-3.2,;7.04,-2.24,;8.29,-3.14,;7.2,-.71,;8.45,-1.61,)|

BDBM523115

Cc1nc(cc(n1)-n1ncc2cc(F)c(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.62,-2.9,;-.59,-1.75,;.92,-2.07,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-5.97,5.11,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,;3.46,-1.25,;4.08,-2.66,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;6.64,-3.64,;6.17,-5.11,;8.15,-3.32,;7.12,-2.18,)|

BDBM523028

Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.62,-2.9,;-.59,-1.75,;.92,-2.07,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,;3.46,-1.25,;4.08,-2.66,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;6.64,-3.64,;8.15,-3.32,;6.17,-5.11,;7.12,-2.18,)|

BDBM523137

Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CN(CC(F)(F)F)C2)C1

BDBM523132

Cc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CC2(CN(C2)C2COC2)C1 |r|

BDBM523093

Cc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CCN2CCOC[C@@H]2C1 |r|

BDBM523133

Cc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1C[C@@H]2C[C@H]1CN2C1(C)COC1 |r,TLB:30:29:23.24:26,3:23:28.29:26|

BDBM523027

N#CC1(CC11CC1)c1ccc2cnn(-c3cc(ncn3)N3CC4(C3)CCOC4)c2c1

BDBM523097

N#C[C@]1(CC11CC1)c1ccc2cnn(-c3cc(ncn3)C3CC3)c2c1 |r|