Skip to main content
. Author manuscript; available in PMC: 2017 Mar 8.
Published in final edited form as: Nature. 2016 Aug 17;537(7619):185–190. doi: 10.1038/nature19112

Extended Data Table 1.

Molecules with μOR activity identified in the initial screen

Cmpd Structure Rank Tca μOR Ki (μM) Nearest ChEMBL μOR ligand
1 graphic file with name nihms825116t1.jpg 467 0.28 7.2 graphic file with name nihms825116t2.jpg
2 graphic file with name nihms825116t3.jpg 358 0.28 5.8 graphic file with name nihms825116t4.jpg
3 graphic file with name nihms825116t5.jpg 1281 0.30 13.8 graphic file with name nihms825116t6.jpg
4 graphic file with name nihms825116t7.jpg 1465 0.30 2.3 graphic file with name nihms825116t8.jpg
5 graphic file with name nihms825116t9.jpg 2418 0.31 4.7 graphic file with name nihms825116t10.jpg
6 graphic file with name nihms825116t11.jpg 2211 0.30 10.0 graphic file with name nihms825116t12.jpg
7 graphic file with name nihms825116t13.jpg 1140 0.30 2.5 graphic file with name nihms825116t14.jpg
a

The ECFP4 Tanimoto similarity (Tc) to the most similar μOR ligand in ChEMBL16.

HHS Vulnerability Disclosure