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Regex Pattern / motif 235 results

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235 results for Pattern / motif query

Cards

Pattern / motif 235 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: retro_amide Retro-amide

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:

Retro-amide

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:

Retro-amide

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:

Retro-amide

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:

Retro-amide

Detail

Select ID 79 DB Docking_panel_21

ulfkktlib_1376

ID 79

O=C(NCC(=O)N1CC(=O)/C(=C\Nc2cccc3ccccc23)C1=O)OCc1ccccc1

Formula: C25H21N3O5

MW: 443.46 | LogP: 3.00

TPSA: 104.81

Patterns:

Retro-amide

Detail

Select ID 83 DB Docking_panel_21

Z23213151

ID 83

N#CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O

Formula: C18H17N3O3S

MW: 355.42 | LogP: 2.19

TPSA: 90.27

Patterns:

Retro-amide

Detail

Select ID 101 DB Docking_panel_21

Z18509545

ID 101

C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O

Formula: C21H18N2O5S

MW: 410.45 | LogP: 2.78

TPSA: 84.94

Patterns:

Retro-amide

Detail

Select ID 141 DB Docking_panel_21

OHD_TbNat_160

ID 141

Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)c1

Formula: C29H30N4O2

MW: 466.59 | LogP: 4.17

TPSA: 86.02

Patterns:

Retro-amide

Detail

Select ID 143 DB Docking_panel_21

KB_Leish_46

ID 143

O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl

Formula: C24H26Cl2N2O4

MW: 477.39 | LogP: 5.03

TPSA: 71.03

Patterns:

Retro-amide

Detail

Select ID 154 DB Docking_panel_21

Z14181256

ID 154

CCOc1ccc(CCNC(=O)CN2C(=O)[C@@]3(CCc4ccccc43)N=C2O)cc1OCC

Formula: C25H29N3O5

MW: 451.52 | LogP: 2.74

TPSA: 100.46

Patterns:

Retro-amide

Detail

Select ID 168 DB Docking_panel_21

OSA_Lib_198

ID 168

C[NH+](C)[C@]12C[C@H](OC(=O)CN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C28H37N2O2+

MW: 433.62 | LogP: 3.26

TPSA: 33.98

Patterns:

Retro-amide

Detail

Select ID 174 DB Docking_panel_21

OSA_Lib_197

ID 174

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)CN3CCCC3)C1)[C@H](c1ccccc1)C2

Formula: C28H37N2O2+

MW: 433.62 | LogP: 3.26

TPSA: 33.98

Patterns:

Retro-amide

Detail

Select ID 187 DB Docking_panel_21

Z16286645

ID 187

Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1

Formula: C23H21N3O6

MW: 435.44 | LogP: 3.01

TPSA: 110.97

Patterns:

Retro-amide

Detail

Select ID 190 DB Docking_panel_21

KB_HAT_96

ID 190

N#Cc1cccc(Cc2cc(Nc3cc(C4CC4)n[nH]3)nc(N3CC[C@H]3C(N)=O)n2)c1

Formula: C22H22N8O

MW: 414.47 | LogP: 2.35

TPSA: 136.61

Patterns:

Retro-amide

Detail

Select ID 191 DB Docking_panel_21

OSA_Lib_68

ID 191

C[NH+](C)[C@]12CCN(CC(N)=O)[C@H]([C@H](c3ccc(Cl)cc3)C1)[C@H](c1ccc(Cl)cc1)C2

Formula: C24H30Cl2N3O+

MW: 447.43 | LogP: 3.10

TPSA: 50.77

Patterns:

Retro-amide

Detail

Select ID 203 DB Docking_panel_21

OSA_Lib_53

ID 203

CN1CCN(CC(=O)O[C@H]2C[C@]3([NH+](C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1

Formula: C29H40N3O2+

MW: 462.66 | LogP: 2.41

TPSA: 37.22

Patterns:

Retro-amide

Detail

Select ID 219 DB Docking_panel_21

OSA_Lib_108

ID 219

O=C(CN1CCCC1)O[C@@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C30H39N2O2+

MW: 459.65 | LogP: 3.79

TPSA: 33.98

Patterns:

Retro-amide

Detail

Select ID 237 DB Docking_panel_21

Z56958949

ID 237

O=C(CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1ccccc1

Formula: C23H19N3O5S3

MW: 513.62 | LogP: 2.43

TPSA: 103.86

Patterns:

Retro-amide

Detail

Select ID 262 DB Docking_panel_21

Z56784540

ID 262

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1cccc2ccccc12)c1cccs1

Formula: C27H22N4O2S

MW: 466.57 | LogP: 4.87

TPSA: 86.35

Patterns:

Retro-amide

Detail

Select ID 266 DB Docking_panel_21

OHD_TB2023_29

ID 266

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:

Retro-amide

Detail

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