Submission Details

DAR-DIA-ecdbc7dd
Molecule(s):
O=C(Nc1cncc2ccccc12)C1(Cn2cnc3ccccc32)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-1

O=C(Nc1cncc2ccccc12)C1(Cn2cnc3ccccc32)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CN1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1

DAR-DIA-ecdbc7dd-2

CN1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCCC2)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-3

O=C(Nc1cncc2ccccc12)C1(CN2CCCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCC2)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-4

O=C(Nc1cncc2ccccc12)C1(CN2CCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-5

O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(Cn2cnc3ccccc32)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-6

O=C(Nc1cncc2ccccc12)C1(Cn2cnc3ccccc32)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CN1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCNc3ccc(Cl)cc32)CC1

DAR-DIA-ecdbc7dd-7

CN1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCNc3ccc(Cl)cc32)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCCC2)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-8

O=C(Nc1cncc2ccccc12)C1(CN2CCCC2)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCC2)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-9

O=C(Nc1cncc2ccccc12)C1(CN2CCC2)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-10

O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCCCC2)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-11

O=C(Nc1cncc2ccccc12)C1(CN2CCCCC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CCCCC2)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-12

O=C(Nc1cncc2ccccc12)C1(CN2CCCCC2)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CC2)CCOc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-13

O=C(Nc1cncc2ccccc12)C1(CN2CC2)CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc2ccccc12)C1(CN2CC2)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-14

O=C(Nc1cncc2ccccc12)C1(CN2CC2)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
NCC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21

DAR-DIA-ecdbc7dd-15

NCC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C1CC1

DAR-DIA-ecdbc7dd-16

O=C(NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C1CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(NCC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21)C1CC1

DAR-DIA-ecdbc7dd-17

O=C(NCC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21)C1CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1

DAR-DIA-ecdbc7dd-18

CC(=O)N1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCNc3ccc(Cl)cc32)CC1

DAR-DIA-ecdbc7dd-19

CC(=O)N1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCNc3ccc(Cl)cc32)CC1

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

Analogues of EDG-MED-971238d3-5 and EDJ-MED-92e193ae-1 targeting S1' designed using SeeSAR using X-ray structure of EDG-MED-971238d3-5.

Inspired By:
Download PDB File
Discussion:

Contributor: Daren Fearon, Diamond Light Source Ltd - Fri, 22 Jan 2021 20:57:32 +0000