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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 29 results

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29 results for Pattern / motif query

Cards

Pattern / motif 29 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: guanidine Guanidine

Select ID 113 DB Docking_panel_21

OHD_MV-41

ID 113

NC1=NC(=[NH2+])N(c2ccc(O)cc2)[C@@]2(CCCN(Cc3ccccc3)C2)N1

Formula: C20H25N6O+

MW: 365.46 | LogP: 0.22

TPSA: 102.71

Patterns:

Guanidine

Detail

Select ID 246 DB Docking_panel_21

OHD_Leishmania_216

ID 246

[H]/N=C(NCCCCCCNC(=[NH2+])/N=C(/N)Nc1ccc(Cl)cc1)/[NH+]=C(\N)Nc1ccc(Cl)cc1

Formula: C22H32Cl2N10+2

MW: 507.47 | LogP: 0.02

TPSA: 175.93

Patterns:

Guanidine

Detail

Select ID 289 DB Docking_panel_21

OHD_MV-44

ID 289

NC1=NC(=[NH2+])N(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)N1

Formula: C20H24FN6+

MW: 367.45 | LogP: 0.66

TPSA: 82.48

Patterns:

Guanidine

Detail

Select ID 424 DB Docking_panel_21

OHD_MV-45

ID 424

NC1=NC(=[NH2+])N(c2ccc(Br)cc2)[C@]2(CC[N@H+](Cc3ccccc3)CC2)N1

Formula: C20H25BrN6+2

MW: 429.37 | LogP: -0.14

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 525 DB Docking_panel_21

OHD_MV-42

ID 525

Cc1ccc(N2C(=[NH2+])N=C(N)N[C@]23CCC[N@@H+](Cc2ccccc2)C3)cc1

Formula: C21H28N6+2

MW: 364.50 | LogP: -0.59

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 558 DB Docking_panel_21

OHD_MV-37

ID 558

NC1=NC(=[NH2+])N(c2ccc(Cl)cc2)[C@@]2(CCC[N@H+](Cc3ccccc3)C2)N1

Formula: C20H25ClN6+2

MW: 384.92 | LogP: -0.25

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 614 DB Docking_panel_21

OHD_MV-36

ID 614

NC1=NC(=[NH2+])N(c2ccccc2)[C@]2(CCC[N@H+](Cc3ccccc3)C2)N1

Formula: C20H26N6+2

MW: 350.47 | LogP: -0.90

TPSA: 83.68

Patterns:

Guanidine

Detail

Select ID 754 ★ Native ligand DB Docking_panel_21

3CL9

ID 754

CN(CC1=CN=C2NC(N)=NC(N)=C2[N]1)c1ccc(C(=O)N[C@@H](CCC([O])=O)C([O])=O)cc1

Formula: C20H21N8O5

MW: 453.44 | LogP: -1.18

TPSA: 209.17

Patterns:

Guanidine

Detail

Select ID 1053 DB Docking_panel_21

OHD_MV-11

ID 1053

COc1ccc2c(c1)nc1n2C(C)(C)NC(N)=N1

Formula: C12H15N5O

MW: 245.29 | LogP: 1.29

TPSA: 77.46

Patterns:

Guanidine

Detail

Select ID 1087 DB Docking_panel_21

Z87001357

ID 1087

CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1

Formula: C11H14ClN5

MW: 251.72 | LogP: 1.53

TPSA: 80.00

Patterns:

Guanidine

Detail

Select ID 1095 DB Docking_panel_21

Z57932547

ID 1095

CC1(C)NC(=[NH2+])N=C(N)N1c1ccccc1

Formula: C11H16N5+

MW: 218.28 | LogP: -0.74

TPSA: 79.24

Patterns:

Guanidine

Detail

Select ID 1279 ★ Native ligand DB Docking_panel_21

8RHT

ID 1279

Cc1cc2c(cc1C)N1[C](N=C(N)NC1(C)C)N2

Formula: C13H18N5

MW: 244.32 | LogP: 1.64

TPSA: 65.68

Patterns:

Guanidine

Detail

Select ID 1721 DB Docking_panel_21

OHD_MV-40

ID 1721

NC1=NC(=[NH2+])N(c2ccc(C(=O)O)cc2)[C@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C21H26N6O2+2

MW: 394.48 | LogP: -1.20

TPSA: 120.98

Patterns:

Guanidine

Detail

Select ID 2006 DB Docking_panel_21

Z1741976376

ID 2006

[H]/N=C(/N)Nc1ccc(C(=O)O)cc1

Formula: C8H9N3O2

MW: 179.18 | LogP: 0.69

TPSA: 99.20

Patterns:

Guanidine

Detail

Select ID 2031 DB Docking_panel_21

NMT-TY0429

ID 2031

CC(=O)Nc1ccc(S(=O)(=O)N=C(N)N)cc1

Formula: C9H12N4O3S

MW: 256.29 | LogP: -0.39

TPSA: 127.64

Patterns:

Guanidine

Detail

Select ID 2141 DB Docking_panel_21

Z56833821

ID 2141

Cc1cc2[nH+]c(/N=C(/N)NC(=O)NC3CCCCC3)nc(C)c2cc1C

Formula: C19H27N6O+

MW: 355.47 | LogP: 2.55

TPSA: 106.54

Patterns:

Guanidine

Detail

Select ID 2151 DB Docking_panel_21

OHD_TB2023_2

ID 2151

O=C(Nc1ccc(N=C2NCCN2)c(Cl)c1)c1ccc(NC2=[NH+]CCN2)c(Cl)c1

Formula: C19H20Cl2N7O+

MW: 433.32 | LogP: 0.88

TPSA: 103.55

Patterns:

Guanidine

Detail

Select ID 2563 DB Docking_panel_21

Z56815608

ID 2563

[H]/N=C(\NC(=O)Nc1ccccc1)Nc1nc(C)c2cc(OC)ccc2n1

Formula: C18H18N6O2

MW: 350.38 | LogP: 3.12

TPSA: 112.02

Patterns:

Guanidine

Detail

Select ID 2641 DB Docking_panel_21

OHD_MV-41

ID 2641

NC1=NC(=[NH2+])N(c2ccc(O)cc2)[C@]2(CCC[N@H+](Cc3ccccc3)C2)N1

Formula: C20H26N6O+2

MW: 366.47 | LogP: -1.19

TPSA: 103.91

Patterns:

Guanidine

Detail

Select ID 2697 DB Docking_panel_21

OHD_MV-39

ID 2697

NC1=NC(=[NH2+])N(c2ccc(Br)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H25BrN6+2

MW: 429.37 | LogP: -0.14

TPSA: 83.68

Patterns:

Guanidine

Detail

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