Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 5571 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 1834 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

1834 results for Pattern / motif query

Cards

Pattern / motif 1834 results DB fairmol

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: hinge_binder_2 Hinge binder (C=O-NH)

Select ID 2 DB fairmol

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 (C=O-NH)

Detail

Select ID 3 DB fairmol

Z19597181

ID 3

Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1

Formula: C20H22N6O2S

MW: 410.50 | LogP: 3.02

TPSA: 114.93

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 9 DB fairmol

Z24314037

ID 9

Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 11 DB fairmol

KB_chagas_114

ID 11

CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1

Formula: C16H13ClN2O3S3

MW: 412.95 | LogP: 4.11

TPSA: 76.13

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 13 DB fairmol

Z235511374

ID 13

Cc1cc2c(SCC(=O)Nc3cccc(O)c3)ncnc2s1

Formula: C15H13N3O2S2

MW: 331.42 | LogP: 3.44

TPSA: 75.11

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 15 DB fairmol

NMT-TY0601

ID 15

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCc3ccccc3)nc2=O)cc1

Formula: C19H19N5O4S2

MW: 445.53 | LogP: 2.40

TPSA: 147.04

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 28 DB fairmol

Z56784505

ID 28

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 29 DB fairmol

NMT-TY0558

ID 29

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

Formula: C12H13N5O5S

MW: 339.33 | LogP: -0.18

TPSA: 167.27

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 30 DB fairmol

KB_chagas_205

ID 30

O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)cc1

Formula: C17H13ClN4OS

MW: 356.84 | LogP: 3.92

TPSA: 67.77

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 33 DB fairmol

OHD_TbNat_160

ID 33

Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1

Formula: C29H31N4O2+

MW: 467.59 | LogP: 3.14

TPSA: 90.60

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 42 DB fairmol

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 (C=O-NH)

Detail

Select ID 50 DB fairmol

Z24181579

ID 50

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 51 DB fairmol

Z56821211

ID 51

Cn1c(SCC(=O)N/N=C\c2ccc(O)c(O)c2)nc2ccccc21

Formula: C17H16N4O3S

MW: 356.41 | LogP: 2.23

TPSA: 99.74

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 53 DB fairmol

KB_Leish_45

ID 53

Cc1nc2c(-c3ncn[nH]3)cc(NC(=O)Cc3ccccc3)cn2c1C

Formula: C19H18N6O

MW: 346.39 | LogP: 2.92

TPSA: 87.97

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 54 DB fairmol

KB_Leish_178

ID 54

O=C(CN1CCN(c2cccc[nH+]2)CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl

Formula: C23H31ClN5O3S+

MW: 493.05 | LogP: 2.48

TPSA: 87.10

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 55 DB fairmol

Z49728376

ID 55

COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)ccc1O

Formula: C17H16N2O5

MW: 328.32 | LogP: 1.69

TPSA: 89.38

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 59 DB fairmol

KB_Leish_189

ID 59

COc1ccc2ncc(F)c(CC[N@H+]3CC[C@@H](NC(=O)c4cc5c(s4)CCC5)[C@@H](O)C3)c2n1

Formula: C24H28FN4O3S+

MW: 471.58 | LogP: 1.32

TPSA: 88.78

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 64 DB fairmol

ulfkktlib_769

ID 64

O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C27H23Cl2N3O5

MW: 540.40 | LogP: 4.84

TPSA: 99.18

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 65 DB fairmol

Z92413403

ID 65

NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1

Formula: C18H18N6O3S2

MW: 430.52 | LogP: 2.05

TPSA: 132.86

Patterns:

Hinge binder (C=O-NH)

Detail

Select ID 70 DB fairmol

KB_HAT_71

ID 70

COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)Cc4ccc(Cl)c(Cl)c4)CC3)c2c1

Formula: C24H26Cl2N4O3

MW: 489.40 | LogP: 3.54

TPSA: 76.46

Patterns:

Hinge binder (C=O-NH)

Detail

Page 1 / 92