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Regex Pattern / motif 1848 results

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1848 results for Pattern / motif query

Cards

Pattern / motif 1848 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: chelator Metal chelator

Select ID 9 DB Docking_panel_21

Z82167273

ID 9

O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1

Formula: C18H19N3O2S

MW: 341.44 | LogP: 3.92

TPSA: 68.02

Patterns:

Metal chelator

Detail

Select ID 15 DB Docking_panel_21

KB_chagas_183

ID 15

CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4[nH+]cccc4[nH]3)C2)on1

Formula: C19H23N4O2+

MW: 339.42 | LogP: 3.11

TPSA: 76.27

Patterns:

Metal chelator

Detail

Select ID 18 DB Docking_panel_21

ulfkktlib_459

ID 18

CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C(=O)C1(Cc1ccccc1)Cc1ccccc1

Formula: C24H29N3O4

MW: 423.51 | LogP: 2.64

TPSA: 101.73

Patterns:

Metal chelator

Detail

Select ID 21 DB Docking_panel_21

Z49724748

ID 21

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:

Metal chelator

Detail

Select ID 22 DB Docking_panel_21

OHD_TB2022_45

ID 22

COc1cccc(CNC(=O)c2ccc3nc(N)nc(N)c3c2)c1

Formula: C17H17N5O2

MW: 323.36 | LogP: 1.73

TPSA: 116.15

Patterns:

Metal chelator

Detail

Select ID 26 DB Docking_panel_21

Z56784490

ID 26

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

Formula: C23H19ClN4O2S

MW: 450.95 | LogP: 4.37

TPSA: 86.35

Patterns:

Metal chelator

Detail

Select ID 30 DB Docking_panel_21

Z26404236

ID 30

Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1

Formula: C19H17N3OS2

MW: 367.50 | LogP: 5.18

TPSA: 54.88

Patterns:

Metal chelator

Detail

Select ID 33 DB Docking_panel_21

Z25378902

ID 33

CCc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Metal chelator

Detail

Select ID 37 DB Docking_panel_21

Z56784505

ID 37

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:

Metal chelator

Detail

Select ID 42 DB Docking_panel_21

OHD_ACDS_39

ID 42

CC(C)C(=O)NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C22H21Br2N3O

MW: 503.24 | LogP: 6.08

TPSA: 60.68

Patterns:

Metal chelator

Detail

Select ID 44 DB Docking_panel_21

Z82167147

ID 44

Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1

Formula: C19H15N3O2S

MW: 349.42 | LogP: 4.42

TPSA: 68.02

Patterns:

Metal chelator

Detail

Select ID 51 DB Docking_panel_21

Z278071350

ID 51

O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1

Formula: C21H16F2N4O2S

MW: 426.45 | LogP: 3.82

TPSA: 87.74

Patterns:

Metal chelator

Detail

Select ID 54 DB Docking_panel_21

Z46089428

ID 54

C[C@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1

Formula: C30H26N4O2

MW: 474.56 | LogP: 5.26

TPSA: 105.78

Patterns:

Metal chelator

Detail

Select ID 55 DB Docking_panel_21

Z169788636

ID 55

O=C(CCc1nc(=O)c2ccccc2[nH]1)N[C@H]1CCc2ccccc21

Formula: C20H19N3O2

MW: 333.39 | LogP: 2.66

TPSA: 74.85

Patterns:

Metal chelator

Detail

Select ID 57 DB Docking_panel_21

Z32749009

ID 57

O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCN(c2cccc[nH+]2)CC1

Formula: C22H22FN4O3S+

MW: 441.51 | LogP: 2.40

TPSA: 83.86

Patterns:

Metal chelator

Detail

Select ID 60 DB Docking_panel_21

Z30879796

ID 60

O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1

Formula: C26H22BrN3O2

MW: 488.39 | LogP: 5.33

TPSA: 56.67

Patterns:

Metal chelator

Detail

Select ID 61 DB Docking_panel_21

Z28978240

ID 61

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Metal chelator

Detail

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:

Metal chelator

Detail

Select ID 65 DB Docking_panel_21

OHD_ACDS_44

ID 65

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1

Formula: C23H17Br2N3O2

MW: 527.22 | LogP: 6.33

TPSA: 73.82

Patterns:

Metal chelator

Detail

Select ID 67 DB Docking_panel_21

Z275595534

ID 67

O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(-c2ccco2)nc2ccccc12

Formula: C26H24N4O4S

MW: 488.57 | LogP: 5.00

TPSA: 113.66

Patterns:

Metal chelator

Detail

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