mol_id smiles cluster gene_name gene_product Link
19
  • 1206229
 OCCNc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N 169 {TcCLB.509695.190} {cdc2-related kinase 1}
21
  • 539355
  • 35556
  • 415749
 C=C[C@@H]1C[NH+]2CC[C@@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O 174 {TcCLB.506489.20} {monoglyceride lipase, putative}
25
  • 151700
  • 1150701
  • 164662
  • 1482375
 COc1ccc(cc1OC)Nc1ncnc2c1cc(OC)c(c2)OC.COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OC(F)(F)F.COc1cc2c(ncnc2cc1OC)Nc1ccccc1.COc1ccc(cc1)Nc1ncnc2c1cc(OC)c(c2)OC 205 {TcCLB.509695.190} {cdc2-related kinase 1}
26
  • 1824999
 COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)C(=O)C 206 {TcCLB.509695.190} {cdc2-related kinase 1}
28
  • 1441684
  • 1452511
 CCc1ccccc1NC1Sn2c(N1)cc(n2)C.Cc1ccc(c(c1)C)NC1Nc2n(S1)nc(c2)C 216 {TcCLB.511717.90} {phosphomannose isomerase, putative}
29
  • 331511
 CC1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C 236 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
35
  • 670326
 O=C(Nc1ccc(cc1C(=O)O)Cl)COc1cccc2c1cccc2 368 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
36
  • 1175846
 Fc1cccc(c1)CCN1C2C3C4C1(O)C1C2C2C3CC4C12 383 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
38
  • 441186
 CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2 416 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
39
  • 1405030
 O=C(Nc1ccccc1)CSC(c1nc(O)c2c(n1)cccc2)C 451 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
41
  • 120677
 Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1.OC(=O)CCC(=O)O 504 {TcCLB.509695.190} {cdc2-related kinase 1}
42
  • 1225014
 CCNc1ccccc1CP(=O)(c1ccccc1O)c1ccccc1 516 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
49
  • 977993
 Nc1ncnc2c1c(n[nH]2)c1ccc2c(c1)cccc2 619 {TcCLB.510167.10} {phosphatidylinositol 3-kinase 2, putative}
56
  • 1119297
 O=C(Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)NC(=O)C)S(=O)(=O)O 697 {TcCLB.508593.110} {arginine N-methyltransferase, putative}
62
  • 33241
 COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1 762 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
73
  • 1318381
 Fc1ccc(cc1)C(Nc1nc(nc2c1cccc2)c1cccnc1)C 906 {TcCLB.509027.70} {kinetoplastid kinetochore protein 19, putative}
80
  • 1222184
 COc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1)F)c1cccc(c1)OC 959 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
83
  • 1828765
 Clc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1 970 {TcCLB.507023.120} {aldehyde dehydrogenase family, putative}
84
  • 1284013
 CCOC(=O)c1cnc2c(c1Sc1ccccc1C(=O)OC)cc(cc2)C 973 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
90
  • 1544457
  • 1533002
  • 1556966
 Clc1ccc(c(c1)Cl)n1sc2c(c1=O)ccc(c2)F.Fc1ccc2c(c1)sn(c2=O)c1cc(C)ccc1C.Fc1ccc2c(c1)sn(c2=O)c1cc(Cl)ccc1Cl 1190 {TcCLB.510187.480, TcCLB.511717.90} {phosphomannose isomerase, putative, phosphomannomutase, putative}
98
  • 1523485
 Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F 1270 {TcCLB.511903.160} {phosphatidylinositol 3-kinase vps34-like}
104
  • 1284891
 N#Cc1cnn2c1nccc2c1ccccc1 1298 {TcCLB.509027.70} {kinetoplastid kinetochore protein 19, putative}
109
  • 1911495
 COc1ccccc1c1ncnc(c1)Nc1cccc(c1)CS(=O)(=O)N 1375 {TcCLB.509695.190} {cdc2-related kinase 1}
110
  • 329740
  • 549404
 COc1cc2CCN3C(c2cc1O)Cc1c(C3)c(OC)c(cc1)O.COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC 1385 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
112
  • 1060926
 COc1cccc(c1)c1onc(n1)c1cc2cc(OC)ccc2[nH]c1=O 1407 {TcCLB.510167.10} {phosphatidylinositol 3-kinase 2, putative}
113
  • 1444830
 OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2 1420 {TcCLB.508951.20} {hexokinase, putative}
114
  • 327843
 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 1436 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
116
  • 2117990
 Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C 1479 {TcCLB.511903.160} {phosphatidylinositol 3-kinase vps34-like}
122
  • 1226531
 O=C1c2ccccc2C(=O)C(=C1c1ccccc1)C(=O)c1ccccc1 1518 {TcCLB.508951.20} {hexokinase, putative}
123
  • 1419380
 Brc1ccc(cc1)C1=C(C(=O)C)C(=O)c2c(C1=O)cccc2 1519 {TcCLB.511717.90} {phosphomannose isomerase, putative}
129
  • 52869
 Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O 1549 {TcCLB.507049.60} {NAD(P)-dependent oxidoreductase, putative}
131
  • 42897
 CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C 1620 {TcCLB.507897.20} {squalene synthase, putative}
132
  • 2128184
  • 2119606
 CCCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccc(cc1)OC.CCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccc(cc1)OC 1657 {TcCLB.507023.120} {aldehyde dehydrogenase family, putative}
135
  • 1690251
 N#Cc1ncc(nc1O[C@@H](CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C 1673 {TcCLB.509695.190} {cdc2-related kinase 1}
136
  • 1318114
 O=C(c1cnn2c1nc(cc2C(F)F)C1CC1)NCCc1ccccc1 1683 {TcCLB.508951.20} {hexokinase, putative}
137
  • 1454917
 Clc1ccc(cc1)CCNC(=O)c1cnn2c1nc(C)cc2C(F)F 1684 {TcCLB.508951.20} {hexokinase, putative}
141
  • 1867462
 CCn1nc(nc2c1nc(=O)n(c2=O)C)c1cccnc1 1694 {TcCLB.506025.60} {2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative}
142
  • 2241727
 Cn1c(O)nc2c(c1=O)nc([nH]n2C)c1ccccc1 1704 {TcCLB.506025.60} {2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative}
156
  • 1322039
  • 1518191
 CCCc1nc2c(c(=O)n1c1ccc(cc1)F)c(=O)c1c(n2C)cccc1.Cc1nc2c(c(=O)n1c1ccccc1)c(=O)c1c(n2C)cccc1 1822 {TcCLB.508951.20} {hexokinase, putative}
159
  • 831690
 CCN(CCCNC(=O)CCc1c(C)n(CC)c2n(c1=O)nc(c2)c1ccccc1OC)CC 1831 {TcCLB.510431.40} {CAAX prenyl protease 1, putative}
165
  • 1968345
 COc1ccccc1C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C 1856 {TcCLB.509695.190} {cdc2-related kinase 1}
167
  • 1225591
 N#CC1=C([O-])NC(=O)C(C1c1ccccc1C(F)(F)F)[n+]1ccc(cc1)c1ccncc1 1864 {TcCLB.506943.50} {glyceraldehyde 3-phosphate dehydrogenase, putative}
168
  • 1340306
 CCN(CCNc1cc(C)nc2c1C(=O)C(=O)C=C2N1CCCCC1)CC 1866 {TcCLB.508951.20} {hexokinase, putative}
171
  • 2113468
 Brc1ccc2c(c1)c1c(c(=O)o2)c(C)nc2c1c(=O)n([nH]2)c1ccccc1 1892 {TcCLB.509695.190} {cdc2-related kinase 1}
173
  • 242195
 COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(COC(=O)C)(C)C 1903 {TcCLB.507897.20} {squalene synthase, putative}
181
  • 1405344
 COCc1cc(C)n(c(=O)c1C#N)CC(=O)NCc1ccccc1 1964 {TcCLB.510431.40} {CAAX prenyl protease 1, putative}
183
  • 511468
 O=C1OC2(c3c1cccc3)c1cc(Br)c(c(c1Oc1c2cc(Br)c(c1Br)O)Br)O 1969 {TcCLB.508593.110} {arginine N-methyltransferase, putative}
187
  • 807885
 O=C1C(=O)C=C(c2c1cccc2)c1c(O)ccc2c1cccc2 2039 {TcCLB.508951.20} {hexokinase, putative}
192
  • 1349437
 CCc1cc(c(cc1OC)O)c1[nH]nc(c1c1ccccc1Cl)C 2083 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
198
  • 415217
 COC(=O)c1ccc(c(c1)NC(=O)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)O 2193 {TcCLB.506503.69} {glycosomal malate dehydrogenase, putative}
201
  • 1325593
 Clc1ccc2c(c1)onc2OC(=O)N(C)C 2245 {TcCLB.510659.250} {phospholipase A1, putative}
202
  • 993273
 O=C(C1(CCOCC1)c1ccccc1)Nc1ccncc1 2252 {TcCLB.510101.50} {Lanosterol 14-alpha demethylase}
203
  • 431531
 Fc1cccc(c1)Nc1nccc(n1)Nc1ccccc1C(=O)O 2255 {TcCLB.509695.190} {cdc2-related kinase 1}
209
  • 122972
 C1CCN(CC1)CCc1ccccc1 2372 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
211
  • 1083443
 S=C(N1CCCC1)SSC(=S)N1CCCC1 2374 {TcCLB.506489.20} {monoglyceride lipase, putative}
212
  • 2151532
 CNCCN(C)C 2375 {TcCLB.508593.110} {arginine N-methyltransferase, putative}
220
  • 126546
 O=C(Cc1ccccc1)NC1CCN(CC1)Cc1ccccc1 2396 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
221
  • 129753
 O=C(Cc1ccc(cc1)F)NC1CCN(CC1)Cc1ccccc1 2397 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
228
  • 61912
  • 541846
 O=C(c1ccc(cc1)F)CC1CCN(CC1)CC1CC1.Br.O=C(c1ccc(cc1)F)CC1CCN(CC1)CC1CC1 2482 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
234
  • 1399496
 COc1cccc(c1)Nc1ncnc2c1cccc2.Cl 2513 {TcCLB.509027.70} {kinetoplastid kinetochore protein 19, putative}
237
  • 124793
 C=CCc1c(O)ccc2c1oc(=O)cc2 2597 {TcCLB.504427.70} {3-oxo-5-alpha-steroid 4-dehydrogenase, putative}
240
  • 354235
 O=C(Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)COc1ccccc1 2632 {TcCLB.506401.50} {malonyl-CoA decarboxylase, mitochondrial precursor, putative}
241
  • 1372239
 CCCCC(=O)NC(=S)Nc1nnn(n1)CCC 2653 {TcCLB.506943.50} {glyceraldehyde 3-phosphate dehydrogenase, putative}
242
  • 80037
 Nc1nc(N)[nH]c(=O)c1N=O 2659 {TcCLB.509695.190} {cdc2-related kinase 1}
243
  • 1619933
 CC1=C(C)C(=O)C=C/C/1=N/OS(=O)(=O)c1ccc(cc1)C 2709 {TcCLB.511717.90} {phosphomannose isomerase, putative}
244
  • 1877734
 CC1=C(C)C(=O)C=C/C/1=N/OS(=O)(=O)c1ccccc1 2710 {TcCLB.511717.90} {phosphomannose isomerase, putative}
246
  • 1412176
 C1CCCC(CC1)Nc1ccc2c(c1)OCO2 2750 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
247
  • 172403
 Oc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1 2790 {TcCLB.510301.10} {fructose-bisphosphate aldolase, glycosomal, putative}
248
  • 530996
 CCCCCCCCN[C@@H]([C@H](c1ccc(cc1)SC(C)C)O)C 2810 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
250
  • 235011
 O=C(Nc1cccc2c1cccc2)NC1CCN(CC1)Cc1ccccc1 2857 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
251
  • 4933
 CN1CCc2c([C@H](C1)c1ccccc1)cc(c(c2)Cl)O 2859 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
253
  • 1357166
 COc1cc(NC(CCc2ccccc2)C)cc(c1OC)OC 2870 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
255
  • 1393538
 SC(=Nc1cccc2c1ccnc2)Nc1ccc(cc1)C(=O)C 2917 {TcCLB.510667.120} {galactokinase, putative}
256
  • 1413603
 O=Cc1cc2c(C)cc(cc2nc1Cl)C 2968 {TcCLB.511717.90} {phosphomannose isomerase, putative}
258
  • 129018
 COc1ccccc1CC(=O)NC1CCN(CC1)Cc1ccccc1 3009 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
259
  • 49491
 CCOC(=O)C1(CCN(CC1)CC)c1ccccc1 3037 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
260
  • 908596
 NCCC1(CCOC(C1)(C)CC)c1ccc(cc1)OC 3040 {TcCLB.510101.50} {Lanosterol 14-alpha demethylase}
263
  • 565555
 COC1=CC(=O)C=C(C1(O)CC(=O)C)OC 3082 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
265
  • 1011338
 CN(C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1)C 3108 {TcCLB.506489.20} {monoglyceride lipase, putative}
266
  • 1886336
 CCOc1ccc(cc1/C=N/NC(=O)N)Cl 3144 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
267
  • 1287357
 COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)c1nccnc1 3214 {TcCLB.508951.20} {hexokinase, putative}
268
  • 1758087
 O=c1[nH]nc(c2c1cccc2)N 3224 {TcCLB.509695.190} {cdc2-related kinase 1}
269
  • 125958
 O=C(Nc1cccc(c1)c1ccccc1)OC1CCCCC1 3225 {TcCLB.506489.20} {monoglyceride lipase, putative}
272
  • 1425738
 Cc1ccccc1NCc1ccc(c2c1cccn2)O 3235 {TcCLB.511717.90} {phosphomannose isomerase, putative}
273
  • 871547
 S=C(Nc1ccc(cc1)Cc1ccncc1)NCc1ccccc1 3236 {TcCLB.508175.70} {lanosterol synthase, putative}
276
  • 250128
 OC(=O)c1ccc2c(c1)Cc1c2cccc1 3245 {TcCLB.504427.70} {3-oxo-5-alpha-steroid 4-dehydrogenase, putative}
278
  • 1209100
 Nc1ccc2c(c1)Sc1c(N2C)cccc1 3274 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
279
  • 1202770
 O=C(N(C)C)COc1ccc2c(c1)oc(=O)cc2 3289 {TcCLB.510431.40} {CAAX prenyl protease 1, putative}
284
  • 955754
 O[C@H](COc1cccc2c1cccc2)CNC(C)C 3320 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
285
  • 374503
 NCc1c(O)ccc2c1cccc2 3326 {TcCLB.506943.50} {glyceraldehyde 3-phosphate dehydrogenase, putative}
286
  • 1186521
 CCCCCCCCCCCCCCNC(=O)N[C@@H](C[N+](C)(C)C)CC(=O)[O-] 3337 {TcCLB.507211.10} {choline/carnitine O-acyltransferase, putative}
288
  • 23080
 CN(CCc1ccc(c(c1)Cl)Cl)CCN1CCCC1 3342 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
292
  • 214217
 C1CCc2c(C1)cncc2 3354 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
294
  • 2126769
 CNCCN1CCC(CC1)OCc1ccccc1 3368 {TcCLB.508593.110} {arginine N-methyltransferase, putative}
295
  • 188074
 c1ccc(cc1)CCCCN1CCC(CC1)c1ccccc1 3369 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
296
  • 244964
 CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C 3376 {TcCLB.510329.90} {C-8 sterol isomerase, putative}
297
  • 948983
 Clc1cncc(n1)Nc1ccccc1 3388 {TcCLB.509695.190} {cdc2-related kinase 1}
298
  • 2461
 O=C1CCN(N1)c1ccccc1 3396 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
301
  • 1072950
 C1CCN(CC1)SSN1CCCCC1 3403 {TcCLB.506489.20} {monoglyceride lipase, putative}
302
  • 2238376
 C=CCOCc1ccccc1 3406 {TcCLB.506025.60} {2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative}
303
  • 574926
 CC1CCC(CC1)N 3407 {TcCLB.510339.50} {spermidine synthase, putative}
304
  • 222616
 Oc1ccc(cc1)C(=O)C(=O)O 3414 {TcCLB.507211.10} {choline/carnitine O-acyltransferase, putative}
305
  • 1600585
 CN(Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)Cl)C 3416 {TcCLB.508175.70} {lanosterol synthase, putative}
306
  • 231281
 CN(CCCOc1ccc(cc1)c1ccccc1)C 3419 {TcCLB.508175.70} {lanosterol synthase, putative}
307
  • 1659606
 OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O 3421 {TcCLB.509287.50} {glucose-6-phosphate 1-dehydrogenase, putative}
308
  • 1580192
 NC(=S)N/N=C/c1cccc(c1O)O 3428 {TcCLB.511717.90} {phosphomannose isomerase, putative}
312
  • 543925
 OCC[NH3+] 3435 {TcCLB.511899.40} {2-amino-3-ketobutyrate coenzyme A ligase, putative}