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Regex Pattern / motif 13 results

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13 results for Pattern / motif query

Cards

Pattern / motif 13 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: triazine Triazine

Select ID 584 DB Docking_panel_21

KB_Leish_175

ID 584

Cc1ccc(Nc2nc(N)nc(C[NH2+][C@@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H27N8+

MW: 403.51 | LogP: 2.84

TPSA: 122.01

Patterns:

Triazine

Detail

Select ID 691 DB Docking_panel_21

KB_Leish_66

ID 691

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5[nH+]ccn5C)cc4Cl)ccc32)n1

Formula: C25H26ClN8O+

MW: 489.99 | LogP: 3.32

TPSA: 102.11

Patterns:

Triazine

Detail

Select ID 841 DB Docking_panel_21

KB_Leish_84

ID 841

CN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1

Formula: C15H21ClN6O

MW: 336.83 | LogP: 1.68

TPSA: 80.40

Patterns:

Triazine

Detail

Select ID 1178 DB Docking_panel_21

KB_Leish_82

ID 1178

CCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1

Formula: C21H26N6O

MW: 378.48 | LogP: 3.54

TPSA: 89.19

Patterns:

Triazine

Detail

Select ID 1311 DB Docking_panel_21

Z1515383340

ID 1311

Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

Formula: C8H12N4O5

MW: 244.21 | LogP: -3.17

TPSA: 143.72

Patterns:

Triazine

Detail

Select ID 1408 DB Docking_panel_21

KB_Leish_175

ID 1408

Cc1ccc(Nc2nc(N)nc(CN[C@@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H26N8

MW: 402.51 | LogP: 3.87

TPSA: 117.43

Patterns:

Triazine

Detail

Select ID 1706 DB Docking_panel_21

KB_Leish_175

ID 1706

Cc1ccc(Nc2nc(N)nc(C[NH2+][C@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H27N8+

MW: 403.51 | LogP: 2.84

TPSA: 122.01

Patterns:

Triazine

Detail

Select ID 2122 DB Docking_panel_21

ulfkktlib_626

ID 2122

CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(SC)n1

Formula: C11H13N5O2S3

MW: 343.46 | LogP: 1.71

TPSA: 110.86

Patterns:

Triazine

Detail

Select ID 2195 DB Docking_panel_21

Z135082068

ID 2195

Cc1ccc(Nc2nc(N)nc(CS[C@H](C)C(=O)NCc3ccccc3Cl)n2)cc1

Formula: C21H23ClN6OS

MW: 442.98 | LogP: 4.10

TPSA: 105.82

Patterns:

Triazine

Detail

Select ID 3141 DB Docking_panel_21

KB_Leish_78

ID 3141

CC(C)c1[nH+]n(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1

Formula: C20H27N8+

MW: 379.49 | LogP: 2.87

TPSA: 122.67

Patterns:

Triazine

Detail

Select ID 3198 DB Docking_panel_21

KB_Leish_65

ID 3198

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5ccn[nH]5)cc4Cl)ccc32)n1

Formula: C24H23ClN8O

MW: 474.96 | LogP: 3.89

TPSA: 111.72

Patterns:

Triazine

Detail

Select ID 3243 DB Docking_panel_21

KB_Leish_175

ID 3243

Cc1ccc(Nc2nc(N)nc(CN[C@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H26N8

MW: 402.51 | LogP: 3.87

TPSA: 117.43

Patterns:

Triazine

Detail

Select ID 3286 DB Docking_panel_21

KB_Leish_77

ID 3286

Nc1nc(-c2ccccn2)nc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)n1

Formula: C18H13F3N8

MW: 398.35 | LogP: 2.97

TPSA: 121.42

Patterns:

Triazine

Detail