Submission Details

DAR-DIA-0cde14eb
Molecule(s):
Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1

Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2

Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3

Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4

Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-5

Cc1ccncc1NC(=O)Nc1cccc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-6

Cc1ccncc1NC(=O)Nc1cccc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-7

Cc1ccncc1NC(=O)Nc1cccc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-8

Cc1ccncc1NC(=O)Nc1cccc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-9

Cc1ccncc1NC(=O)Nc1cccc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-10

Cc1ccncc1NC(=O)C(C)c1cccc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-11

Cc1ccncc1NC(=O)C(C)c1cccc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-12

Cc1ccncc1NC(=O)C(C)c1cccc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-13

Cc1ccncc1NC(=O)C(C)c1cccc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-14

Cc1ccncc1NC(=O)Cc1cccc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-15

Cc1ccncc1NC(=O)C(C)c1cccc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C)CC2)c1

DAR-DIA-0cde14eb-16

Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-17

Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-18

Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(I)CC2)c1

DAR-DIA-0cde14eb-19

Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(C)CC2)c1

DAR-DIA-0cde14eb-20

Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-21

Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-22

Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(I)CC2)c1

DAR-DIA-0cde14eb-23

Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-24

Cc1ccncc1NC(=O)Nc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(C)CC2)c1

DAR-DIA-0cde14eb-25

Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-26

Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-27

Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(I)CC2)c1

DAR-DIA-0cde14eb-28

Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-29

Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-30

Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC1(c2cccc(CC(=O)Nc3cncc4c3CCCC4)c2)CC1

DAR-DIA-0cde14eb-31

CC1(c2cccc(CC(=O)Nc3cncc4c3CCCC4)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-32

O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-33

O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(I)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-34

O=C(Cc1cccc(C2(I)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
CC1(c2cccc(NC(=O)Nc3cncc4c3CCCC4)c2)CC1

DAR-DIA-0cde14eb-35

CC1(c2cccc(NC(=O)Nc3cncc4c3CCCC4)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-36

O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(F)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-37

O=C(Nc1cccc(C2(F)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(I)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-38

O=C(Nc1cccc(C2(I)CC2)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Check Availability on Manifold View
N#CC1(c2cccc(NC(=O)Nc3cncc4c3CCCC4)c2)CC1

DAR-DIA-0cde14eb-39

N#CC1(c2cccc(NC(=O)Nc3cncc4c3CCCC4)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-40

CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-41

CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-42

CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-43

CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-44

CC(C(=O)Nc1cncc2c1CCCC2)c1cccc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
N#CC1(c2cccc(CC(=O)Nc3cncc4c3CCCC4)c2)CC1

DAR-DIA-0cde14eb-45

N#CC1(c2cccc(CC(=O)Nc3cncc4c3CCCC4)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-46

CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-47

O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-48

O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-49

O=C(Cc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-50

CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-51

O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-52

O=C(Nc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-53

O=C(Nc1cccc(C2(I)CC2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
N#CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-54

N#CC1(c2cccc(NC(=O)Nc3cncc4ccccc34)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-55

CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-56

CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-57

CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-58

CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
N#CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-59

N#CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-60

CC(C(=O)Nc1cncc2ccccc12)c1cccc(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-61

Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-62

Cc1ccncc1NC(=O)Cc1cnn(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-63

Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-64

Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-65

Cc1ccncc1NC(=O)Nc1cnn(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-66

Cc1ccncc1NC(=O)Nc1cnn(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-67

Cc1ccncc1NC(=O)Nc1cnn(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-68

Cc1ccncc1NC(=O)Nc1cnn(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Nc1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-69

Cc1ccncc1NC(=O)Nc1cnn(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-70

Cc1ccncc1NC(=O)C(C)c1cnn(C2(C)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-71

Cc1ccncc1NC(=O)C(C)c1cnn(C2(Cl)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-72

Cc1ccncc1NC(=O)C(C)c1cnn(C2(F)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-73

Cc1ccncc1NC(=O)C(C)c1cnn(C2(I)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-74

Cc1ccncc1NC(=O)Cc1cnn(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-75

Cc1ccncc1NC(=O)C(C)c1cnn(C2(C#N)CC2)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
Duplicate of:
JAN-GHE-83b26c96-14

Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

Duplicate 3-aminopyridine-like Made Check Availability on Manifold View
CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77

CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78

Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

DAR-DIA-0cde14eb-79

Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

Based on active compounds with pyridine ring and carboxyl group interacting in the S1 subsite.

Other Notes:

DAR-DIA-23aa0b97-19 DAR-DIA-23aa0b97-20 DAR-DIA-23aa0b97-5 TRY-UNI-714a760b-18 TRY-UNI-714a760b-6 TRY-UNI-714a760b-22 TRY-UNI-714a760b-20

Inspired By:
Download PDB File
Discussion:

Contributor: Daren Fearon, Diamond Light Source - Sat, 30 May 2020 01:09:36 +0000