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Regex Pattern / motif 68 results

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68 results for Pattern / motif query

Cards

Pattern / motif 68 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: pyrazine Pyrazine

Select ID 63 DB Docking_panel_21

Z1020850360

ID 63

CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21

Formula: C21H23N5OS

MW: 393.52 | LogP: 4.35

TPSA: 85.83

Patterns:

Pyrazine

Detail

Select ID 81 DB Docking_panel_21

OHD_TB2022_20

ID 81

CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)c2ccccc2)cc1

Formula: C22H21N7O

MW: 399.46 | LogP: 2.84

TPSA: 123.91

Patterns:

Pyrazine

Detail

Select ID 91 DB Docking_panel_21

Z108563960

ID 91

O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1

Formula: C20H15N3O3S

MW: 377.43 | LogP: 3.39

TPSA: 91.92

Patterns:

Pyrazine

Detail

Select ID 95 DB Docking_panel_21

TC551

ID 95

NC(=O)c1cncc(C(=O)NCc2c[nH]c3[nH+]c(NC4CC4)ccc23)n1

Formula: C17H18N7O2+

MW: 352.38 | LogP: 0.38

TPSA: 139.93

Patterns:

Pyrazine

Detail

Select ID 243 DB Docking_panel_21

Z56948577

ID 243

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1

Formula: C18H12ClN3O2S

MW: 369.83 | LogP: 4.24

TPSA: 71.95

Patterns:

Pyrazine

Detail

Select ID 256 DB Docking_panel_21

KB_HAT_118

ID 256

NC(=O)c1ncc(N[C@@H]2CCC[NH2+]C2)nc1Nc1cccc(Cl)c1

Formula: C16H20ClN6O+

MW: 347.83 | LogP: 1.11

TPSA: 109.54

Patterns:

Pyrazine

Detail

Select ID 295 DB Docking_panel_21

KB_Leish_181

ID 295

COc1ccc2ncc(=O)n(CC[N@H+]3CC[C@@H](NCc4ccc(-c5cccs5)cc4)CC3)c2n1

Formula: C26H30N5O2S+

MW: 476.63 | LogP: 2.37

TPSA: 73.48

Patterns:

Pyrazine

Detail

Select ID 344 DB Docking_panel_21

OHD_Leishmania_125

ID 344

COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1

Formula: C28H30N8O3

MW: 526.60 | LogP: 2.82

TPSA: 153.45

Patterns:

Pyrazine

Detail

Select ID 368 DB Docking_panel_21

OHD_Leishmania_130

ID 368

CCCOC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4[nH+]c(N)nc(N)c4n3)cc2)CC1

Formula: C24H31N8O3+

MW: 479.57 | LogP: 1.45

TPSA: 154.70

Patterns:

Pyrazine

Detail

Select ID 397 DB Docking_panel_21

OHD_Leishmania_134

ID 397

NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(N(CCCO)Cc2cnc3nc(N)nc(N)c3n2)cc1

Formula: C23H29N9O3

MW: 479.55 | LogP: -0.01

TPSA: 190.47

Patterns:

Pyrazine

Detail

Select ID 414 DB Docking_panel_21

KB_HAT_112

ID 414

COc1ccc2ncc(=O)n(CC[N@@H+]3CC[C@H]([NH2+]Cc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1

Formula: C22H27ClN8O3+2

MW: 486.96 | LogP: -1.49

TPSA: 139.86

Patterns:

Pyrazine

Detail

Select ID 492 DB Docking_panel_21

OHD_Leishmania_131

ID 492

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCCCC2)cc1

Formula: C20H24N8O

MW: 392.47 | LogP: 1.85

TPSA: 127.15

Patterns:

Pyrazine

Detail

Select ID 545 DB Docking_panel_21

OHD_Leishmania_132

ID 545

Nc1nc(N)c2nc(CNc3ccc(C(=O)NCCc4ccccc4)cc3)cnc2n1

Formula: C22H22N8O

MW: 414.47 | LogP: 2.17

TPSA: 144.73

Patterns:

Pyrazine

Detail

Select ID 548 DB Docking_panel_21

OHD_TB2022_22

ID 548

COc1ccc(Oc2ccc(CN(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1

Formula: C22H23N7O2

MW: 417.47 | LogP: 3.02

TPSA: 125.30

Patterns:

Pyrazine

Detail

Select ID 578 DB Docking_panel_21

OHD_TB2022_21

ID 578

COc1ccc(Oc2ccc(C[N@@H+](Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1

Formula: C28H28N7O2+

MW: 494.58 | LogP: 3.17

TPSA: 126.50

Patterns:

Pyrazine

Detail

Select ID 589 DB Docking_panel_21

TC552

ID 589

COC(=O)c1cncc(C(=O)NCc2c[nH]c3[nH+]c(NC4CC4)ccc23)n1

Formula: C18H19N6O3+

MW: 367.39 | LogP: 1.06

TPSA: 123.14

Patterns:

Pyrazine

Detail

Select ID 604 DB Docking_panel_21

OHD_Leishmania_136

ID 604

CCN(Cc1cnc2[nH+]c(N)nc(N)c2n1)c1ccc(C(=O)c2ccccc2)cc1

Formula: C22H22N7O+

MW: 400.47 | LogP: 2.26

TPSA: 125.16

Patterns:

Pyrazine

Detail

Select ID 627 DB Docking_panel_21

OHD_Leishmania_126

ID 627

COC(=O)C1CCN(C(=O)c2ccc(SCc3cnc4nc(N)nc(N)c4n3)nc2)CC1

Formula: C20H22N8O3S

MW: 454.52 | LogP: 1.30

TPSA: 163.10

Patterns:

Pyrazine

Detail

Select ID 645 DB Docking_panel_21

OHD_Leishmania_135

ID 645

CCOC(=O)C1CCN(C(=O)c2ccc(N(CC)Cc3cnc4[nH+]c(N)nc(N)c4n3)cc2)CC1

Formula: C24H31N8O3+

MW: 479.57 | LogP: 1.45

TPSA: 154.70

Patterns:

Pyrazine

Detail

Select ID 657 ★ Native ligand DB Docking_panel_21

OHD_Leishmania_127

ID 657

COC(=O)C1CCN(C(=O)c2ccc(N(CCCO)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1

Formula: C24H30N8O4

MW: 494.56 | LogP: 1.00

TPSA: 173.68

Patterns:

Pyrazine

Detail

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