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Regex Pattern / motif 54 results

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54 results for Pattern / motif query

Cards

Pattern / motif 54 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: carboxylic_acid Carboxylic acid

Select ID 343 DB Docking_panel_21

Z1501475005

ID 343

Nc1nc(O)c2c(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH+]1

Formula: C20H22N5O6+

MW: 428.43 | LogP: 0.50

TPSA: 192.77

Patterns:

Carboxylic acid

Detail

Select ID 367 DB Docking_panel_21

OHD_TbNat_97

ID 367

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

Formula: C39H54O6

MW: 618.86 | LogP: 8.03

TPSA: 104.06

Patterns:

Carboxylic acid

Detail

Select ID 408 DB Docking_panel_21

OHD_Babesia_53

ID 408

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(Br)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27BrFN6O3+

MW: 582.45 | LogP: 2.48

TPSA: 97.69

Patterns:

Carboxylic acid

Detail

Select ID 428 DB Docking_panel_21

OHD_TC1_165

ID 428

O=C(O)c1c(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2)nc2ccc(Cl)cc2c1-c1ccccc1

Formula: C29H29ClN3O2+

MW: 487.02 | LogP: 4.59

TPSA: 66.66

Patterns:

Carboxylic acid

Detail

Select ID 532 DB Docking_panel_21

OSA_Lib_69

ID 532

O=C(O)C[N@@H+]1CC[C@]2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2

Formula: C27H34Cl2N2O2+2

MW: 489.49 | LogP: 3.20

TPSA: 46.18

Patterns:

Carboxylic acid

Detail

Select ID 615 DB Docking_panel_21

OHD_Leishmania_287

ID 615

O=C(O)Cc1ccccc1/C=C/c1ccc2cccc(O)c2[nH+]1

Formula: C19H16NO3+

MW: 306.34 | LogP: 3.16

TPSA: 71.67

Patterns:

Carboxylic acid

Detail

Select ID 652 DB Docking_panel_21

NMT-TY0602

ID 652

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

Formula: C12H13N5O5S2

MW: 371.40 | LogP: -0.09

TPSA: 181.26

Patterns:

Carboxylic acid

Detail

Select ID 713 DB Docking_panel_21

Z2009870667

ID 713

CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1

Formula: C35H36ClNO3S

MW: 586.20 | LogP: 8.95

TPSA: 70.42

Patterns:

Carboxylic acid

Detail

Select ID 717 DB Docking_panel_21

OHD_TC1_166

ID 717

O=C(O)c1c(C[N@H+]2CC[N@@H+](CCO)CC2)nc2ccc(Cl)cc2c1-c1ccccc1

Formula: C23H26ClN3O3+2

MW: 427.93 | LogP: 0.53

TPSA: 79.30

Patterns:

Carboxylic acid

Detail

Select ID 734 DB Docking_panel_21

OHD_TC1_167

ID 734

[NH3+]CCN1CC[NH+](Cc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C(=O)O)CC1

Formula: C23H27ClN4O2+2

MW: 426.95 | LogP: 1.20

TPSA: 85.51

Patterns:

Carboxylic acid

Detail

Select ID 989 DB Docking_panel_21

NMT-TY0580

ID 989

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

Formula: C14H15N5O6S2

MW: 413.44 | LogP: 0.29

TPSA: 184.34

Patterns:

Carboxylic acid

Detail

Select ID 1023 DB Docking_panel_21

ulfkktlib_1127

ID 1023

Cc1cc(Cl)nc(/N=C\C=C(/O)N[C@H](Cc2ccccc2)C(=O)O)n1

Formula: C17H17ClN4O3

MW: 360.80 | LogP: 2.83

TPSA: 107.70

Patterns:

Carboxylic acid

Detail

Select ID 1134 DB Docking_panel_21

Z104483552

ID 1134

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1

Formula: C19H18N2O4

MW: 338.36 | LogP: 3.09

TPSA: 91.42

Patterns:

Carboxylic acid

Detail

Select ID 1179 DB Docking_panel_21

ulfkktlib_2221

ID 1179

O=C(N[C@H]1C[C@@H](C(=O)O)NC1=O)c1cccc(Oc2ccccc2)c1

Formula: C18H16N2O5

MW: 340.34 | LogP: 1.55

TPSA: 104.73

Patterns:

Carboxylic acid

Detail

Select ID 1241 DB Docking_panel_21

OHD_ACDS_76

ID 1241

C=CCc1ccc(OCc2cn(CC(=O)Nc3ccccc3C(=O)O)nn2)c(OC)c1

Formula: C22H22N4O5

MW: 422.44 | LogP: 2.93

TPSA: 115.57

Patterns:

Carboxylic acid

Detail

Select ID 1378 DB Docking_panel_21

OHD_Leishmania_190

ID 1378

O=C(CCc1ccc(O)c(O)c1)O[C@H](Cc1ccccc1)C(=O)O

Formula: C18H18O6

MW: 330.34 | LogP: 2.27

TPSA: 104.06

Patterns:

Carboxylic acid

Detail

Select ID 1462 DB Docking_panel_21

Z1521553982

ID 1462

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

Formula: C20H22N8O5

MW: 454.45 | LogP: 0.27

TPSA: 210.54

Patterns:

Carboxylic acid

Detail

Select ID 1511 DB Docking_panel_21

OHD_Babesia_25

ID 1511

CNc1nc(NC)c2nc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)OC)cc3)cnc2n1

Formula: C23H28N8O5

MW: 496.53 | LogP: 1.28

TPSA: 171.56

Patterns:

Carboxylic acid

Detail

Select ID 1619 DB Docking_panel_21

Z1521554012

ID 1619

O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Carboxylic acid

Detail

Select ID 1672 DB Docking_panel_21

Z1551967334

ID 1672

CCCc1[nH+]c2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Formula: C33H31N4O2+

MW: 515.64 | LogP: 6.68

TPSA: 74.19

Patterns:

Carboxylic acid

Detail

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