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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 41 results

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41 results for Pattern / motif query

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Pattern / motif 41 results DB demo

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Query interpretation

Pattern registry Vnos: hinge_binder_1 Hinge binder (NH-C=O)

Select ID 2 DB demo

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 42 DB demo

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 93 DB demo

NMT-TY0612

ID 93

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCCc3ccccc3)nc2=O)cc1

Formula: C20H21N5O4S2

MW: 459.55 | LogP: 2.45

TPSA: 147.04

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 291 DB demo

Z19316134

ID 291

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1

Formula: C21H22N4O4S2

MW: 458.57 | LogP: 2.69

TPSA: 101.49

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 326 DB demo

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 455 DB demo

Z27504791

ID 455

C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1

Formula: C19H20N4O4S

MW: 400.46 | LogP: 1.38

TPSA: 135.01

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 586 DB demo

Z32377576

ID 586

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1

Formula: C15H16ClN3O5S2

MW: 417.90 | LogP: 0.61

TPSA: 149.42

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 703 DB demo

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 710 DB demo

Z79567126

ID 710

Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C

Formula: C21H25N5O3S2

MW: 459.60 | LogP: 2.49

TPSA: 118.28

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1095 DB demo

Z49605162

ID 1095

O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1

Formula: C25H27N5O4S2

MW: 525.66 | LogP: 3.20

TPSA: 104.20

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1140 DB demo

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1266 DB demo

Z44426342

ID 1266

Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3C)c2=O)c(C)c1

Formula: C29H25ClN2O4

MW: 500.98 | LogP: 5.91

TPSA: 88.40

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1338 DB demo

Z68347375

ID 1338

O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O

Formula: C22H16N4O3

MW: 384.40 | LogP: 3.08

TPSA: 104.21

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1429 DB demo

OHD_TB2022_27

ID 1429

CCS(=O)(=O)N(C)c1cccc(NC(=O)c2cccc(C(N)=[NH2+])c2)c1OCc1ccc(C(N)=[NH2+])cc1

Formula: C25H30N6O4S+2

MW: 510.62 | LogP: -0.77

TPSA: 178.93

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1625 DB demo

NMT-TY0562

ID 1625

CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N)nc2N)cc1

Formula: C12H14N6O3S

MW: 322.35 | LogP: 0.40

TPSA: 153.09

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1671 DB demo

Z54323248

ID 1671

O=C(N/N=C/c1ccc([N+](=O)O)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1

Formula: C16H13N4O6S2+

MW: 421.44 | LogP: 2.71

TPSA: 141.08

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1837 DB demo

Z30206012

ID 1837

CCOc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1

Formula: C17H16N2O3S2

MW: 360.46 | LogP: 4.36

TPSA: 68.29

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1858 DB demo

Z169788636

ID 1858

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc21

Formula: C20H19N3O2

MW: 333.39 | LogP: 2.66

TPSA: 74.85

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1869 DB demo

Z19316089

ID 1869

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCCC1

Formula: C23H26N4O3S2

MW: 470.62 | LogP: 4.23

TPSA: 92.26

Patterns:

Hinge binder (NH-C=O)

Detail

Select ID 1939 DB demo

NMT-TY0428

ID 1939

CC(=O)Nc1ccc(S(=O)(=O)N(C)c2nccs2)cc1

Formula: C12H13N3O3S2

MW: 311.39 | LogP: 1.93

TPSA: 79.37

Patterns:

Hinge binder (NH-C=O)

Detail

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