Submission Details

LON-WEI-af038623
Molecule(s):
C=CC(=O)NCc1cnccc1CCNC(=O)NC1CCCCC1

LON-WEI-af038623-1

C=CC(=O)NCc1cnccc1CCNC(=O)NC1CCCCC1

C=CC(=O)NCc1cc2ccccc2cn1

LON-WEI-af038623-2

C=CC(=O)NCc1cc2ccccc2cn1

C=CC(=O)Nc1cncc2ccccc12

LON-WEI-af038623-3

C=CC(=O)Nc1cncc2ccccc12

C=CC(=O)NC1CC[C@H](C(N)=O)[C@@H]1c1ccsc1

LON-WEI-af038623-4

C=CC(=O)NC1CC[C@H](C(N)=O)[C@@H]1c1ccsc1

C=CC(=O)NC1CC[C@@H](c2ccsc2)[C@H]1C(N)=O

LON-WEI-af038623-5

C=CC(=O)NC1CC[C@@H](c2ccsc2)[C@H]1C(N)=O

C=CC(=O)NCCNc1cc(F)cc2c(CCNC(C)=O)c[nH]c12

LON-WEI-af038623-6

C=CC(=O)NCCNc1cc(F)cc2c(CCNC(C)=O)c[nH]c12

C=CC(=O)Nc1ccccc1Nc1cnccc1C

LON-WEI-af038623-7

C=CC(=O)Nc1ccccc1Nc1cnccc1C

C=CC(=O)Nc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

LON-WEI-af038623-8

C=CC(=O)Nc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
C=CC(=O)NCCCNc1cccc2cnccc12

LON-WEI-af038623-9

C=CC(=O)NCCCNc1cccc2cnccc12

Design Rationale:

Based on a computational protocol we developed to introduce acrylamides to relevant fragments PDBs each are based on are as follows: 5REH 5RGV 5RGV 5REZ 5REZ 5R7Z 5RE4 5RGY 5RGV

Discussion:

Contributor: London Lab, Weizmann Institute - Mon, 15 Jun 2020 19:24:25 +0000