SMILES for Lysosomal alpha-mannosidase

30 SMILES Strings for Lysosomal alpha-mannosidase

Compound Name

SMILES String

[H][C@@]12[C@H](O)[C@H](O)CN1CCC[C@H]2O

CCC[C@H]1CC[C@@H](CC1)c1ccc(NC(=S)NC[C@@H]2[C@@H](O)[C@@H](O)[C@H]3[C@H](O)CCCN23)cc1 |r,wU:23.31,21.22,19.20,6.9,wD:24.25,18.18,3.2,(10.56,34.3,;10.56,35.84,;9.23,36.61,;7.9,35.84,;6.56,36.61,;5.23,35.84,;5.23,34.3,;6.56,33.53,;7.9,34.3,;3.89,33.53,;2.56,34.3,;1.23,33.53,;1.23,31.99,;-.11,31.22,;-1.44,31.99,;-1.44,33.53,;-2.77,31.22,;-4.11,31.99,;-5.44,31.22,;-5.92,29.76,;-5.15,28.42,;-7.46,29.76,;-8.23,28.42,;-7.93,31.22,;-9.34,31.85,;-10.59,30.94,;-9.5,33.38,;-8.25,34.28,;-6.85,33.66,;-6.69,32.13,;2.56,31.22,;3.89,31.99,)|

BDBM688736

CCCCCC[C@H]1CC[C@@H](CC1)c1ccc(NC(=S)NC[C@@H]2[C@@H](O)[C@@H](O)[C@H]3[C@H](O)CCCN23)cc1 |r,wU:26.34,24.25,22.23,9.12,wD:27.28,21.21,6.5,(7.88,5.74,;9.21,6.51,;9.21,8.05,;10.55,8.82,;10.55,10.36,;9.21,11.13,;7.88,10.36,;6.55,11.13,;5.21,10.36,;5.21,8.82,;6.55,8.05,;7.88,8.82,;3.88,8.05,;2.54,8.82,;1.21,8.05,;1.21,6.51,;-.12,5.74,;-1.46,6.51,;-1.46,8.05,;-2.79,5.74,;-4.12,6.51,;-5.46,5.74,;-5.93,4.27,;-5.16,2.94,;-7.47,4.27,;-8.24,2.94,;-7.95,5.74,;-9.36,6.36,;-10.6,5.46,;-9.52,7.89,;-8.27,8.8,;-6.86,8.17,;-6.7,6.64,;2.54,5.74,;3.88,6.51,)|

BDBM688737

CCC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN12 |r,wU:24.33,22.24,20.22,6.9,wD:25.27,19.20,3.2,(8.89,14.26,;9.98,15.35,;9.58,16.84,;8.09,17.24,;7.69,18.73,;6.21,19.12,;5.12,18.04,;5.52,16.55,;7,16.15,;3.63,18.43,;3.23,19.92,;1.74,20.32,;.65,19.23,;1.05,17.74,;2.54,17.35,;-.83,19.63,;-.83,21.17,;-2.17,18.86,;-3.5,19.63,;-4.83,18.86,;-5.31,17.4,;-4.54,16.06,;-6.85,17.4,;-7.62,16.06,;-7.32,18.86,;-8.73,19.49,;-9.98,18.58,;-8.89,21.02,;-7.65,21.92,;-6.24,21.3,;-6.08,19.77,)|

BDBM688738

O[C@H]1[C@@H](O)[C@H]2[C@H](O)CCCN2[C@@H]1CNC(=O)c1ccc(cc1)-c1ccccc1 |r|

BDBM688739

COc1ccc(NC(=S)NC[C@@H]2[C@@H](O)[C@@H](O)[C@H]3[C@H](O)CCCN23)cc1 |r|

BDBM688740

O[C@H]1[C@@H](O)[C@H]2[C@H](O)CCCN2[C@@H]1CNC(=S)Nc1ccccc1 |r|

BDBM50030339

OCCC1(O)[C@@H](O)CNC[C@H]1O |r|

BDBM50030340

CCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|

BDBM50030341

OCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|

BDBM50030342

CCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|

BDBM50030343

CCCCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|

BDBM50242271

C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O

BDBM50030374

CCCCCCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|

BDBM50263091

CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|

BDBM50263050

O[C@@H]1[C@@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)NC(=O)[C@@H]1O |r|

BDBM50263049

CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|

BDBM50263048

OC[C@H](NC[C@H]1NC(=O)[C@H](O)[C@@H]1O)c1ccccc1 |r|

BDBM50263047

O[C@H]1CN[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@H]1O |r|

BDBM50168988

OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|

BDBM50168995

O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|

BDBM50163438

OC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1O

BDBM50525014

[H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(CCC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50525019

[H][C@]12COC(=O)N1[C@H](NCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50525016

[H][C@]12COC(=O)N1[C@H](NCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50525017

[H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50525018

[H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COCc6cn(CCCCCCN[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@@]8([H])COC(=O)N78)nn6)O[C@H](O[C@]6([H])[C@@H](COCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@]9([H])COC(=O)N89)nn7)O[C@H](O[C@]7([H])[C@@H](COCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@@]%10([H])COC(=O)N9%10)nn8)O[C@H](O[C@]8([H])[C@@H](COCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@@]%11([H])COC(=O)N%10%11)nn9)O[C@]([H])(O[C@@H]9[C@@H](COCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@@]%12([H])COC(=O)N%11%12)nn%10)O[C@H](O[C@]%10([H])[C@@H](COCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@@]%13([H])COC(=O)N%12%13)nn%11)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6,54,89,124,159,194,229|

BDBM50525020

[H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50525015

[H][C@]12COC(=O)N1[C@H](NCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6|

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C