Ki Summary

Reaction Details

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Target

Orexin receptor type 2

Ligand

BDBM386088

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2165223 (CHEMBL5050084)

EC50

0.290000±n/a nM

Citation

Fujimoto, T; Rikimaru, K; Fukuda, K; Sugimoto, H; Masuda, K; Ohyabu, N; Banno, Y; Tokunaga, N; Kawamoto, T; Tomata, Y; Kumagai, Y; Iida, M; Nagano, Y; Yoneyama-Hirozane, M; Shimizu, Y; Sasa, K; Ishikawa, T; Yukitake, H; Ito, M; Aoyama, K; Matsumoto, T Discovery of TAK-925 as a Potent, Selective, and Brain-Penetrant Orexin 2 Receptor Agonist. ACS Med Chem Lett13:457-462 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Orexin receptor type 2

Name:

Orexin receptor type 2

Synonyms:

Type:

Protein

Mol. Mass.:

50710.53

Organism:

Homo sapiens (Human)

Description:

O43614

Residue:

444

Sequence:

MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAG
YIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETW
FFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVS
CIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMV
LAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARR
KTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAAN
PIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKL
SEQVVLTSISTLPAANGAGPLQNW

BDBM386088

n/a

Name

BDBM386088

Synonyms:

(2R,3S)-N-ethyl-3- ((methylsulfonyl)amino)-2-(((cis-4- phenylcyclohexyl)oxy)methyl)- piperidine-1-carboxamide | US10287305, Example 30 | US10508083, Example 30 | US11292766, Example 30

Type

Small organic molecule

Emp. Form.

C22H35N3O4S

Mol. Mass.

437.596

SMILES

CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:21.25,18.18,15.16,9.9,(.93,-6.79,;1.33,-5.3,;.24,-4.21,;.64,-2.72,;-.45,-1.63,;2.12,-2.32,;3.21,-3.41,;4.7,-3.01,;5.1,-1.53,;4.01,-.44,;4.41,1.05,;5.9,1.45,;6.99,.36,;5.5,2.94,;6.99,2.54,;2.52,-.84,;1.43,.25,;-.05,-.15,;-1.14,.94,;-2.63,.54,;-3.72,1.63,;-3.32,3.12,;-1.83,3.52,;-.74,2.43,;-4.41,4.21,;-4.01,5.7,;-5.1,6.79,;-6.59,6.39,;-6.99,4.9,;-5.9,3.81,)|

Structure