Submission Details

JAN-GHE-4287bd1a
Molecule(s):
C=CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1

JAN-GHE-4287bd1a-1

C=CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1

Cc1ccc(S(=O)(=O)NC(=O)Cn2ccccc2=O)cc1

JAN-GHE-4287bd1a-2

Cc1ccc(S(=O)(=O)NC(=O)Cn2ccccc2=O)cc1

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)ccc1=O

JAN-GHE-4287bd1a-3

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)ccc1=O

CCn1cc(C#N)c(=O)n(CC(=O)/C(C#N)=C2\Nc3ccccc3S2)c1=O

JAN-GHE-4287bd1a-4

CCn1cc(C#N)c(=O)n(CC(=O)/C(C#N)=C2\Nc3ccccc3S2)c1=O

O=C1CCCCN(CC(=O)N2CCSc3ccccc32)C1=O

JAN-GHE-4287bd1a-5

O=C1CCCCN(CC(=O)N2CCSc3ccccc32)C1=O

3-aminopyridine-like Check Availability on Manifold View
N#CCCN(C(=O)CN1CCCCC(=O)C1=O)c1ccc(F)cc1

JAN-GHE-4287bd1a-6

N#CCCN(C(=O)CN1CCCCC(=O)C1=O)c1ccc(F)cc1

3-aminopyridine-like Check Availability on Manifold View
Cc1nccn1CC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1

JAN-GHE-4287bd1a-7

Cc1nccn1CC(=O)N(c1ccccc1)C1C=CS(=O)(=O)C1

3-aminopyridine-like Check Availability on Manifold View
O=C(CCn1ccnc1)N(c1ccccc1)C1C=CS(=O)(=O)C1

JAN-GHE-4287bd1a-8

O=C(CCn1ccnc1)N(c1ccccc1)C1C=CS(=O)(=O)C1

O=C(Nc1cccnc1)C1=CS(=O)(=O)CCC1

JAN-GHE-4287bd1a-9

O=C(Nc1cccnc1)C1=CS(=O)(=O)CCC1

Design Rationale:

Selection of reactive covalent binding Enamine REAL compounds. Based on diverse fragment combinations and aimed at CYS145 binding.

Other Notes:

(enamine REAL codes) Z2517205702 Z442185328 Z1181613711 Z441221652 Z2806541131 Z2769975095 Z1607440029 Z2599432013 Z3292352914

Inspired By:
Discussion:

Contributor: Jan, Ghent University - Sun, 03 May 2020 18:54:52 +0000