Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50522121
Substrate
n/a
Meas. Tech.
ChEMBL_1886013 (CHEMBL4387595)
Ki
>10.0±n/a nM
Citation
 Saitoh, T; Seki, K; Nakajima, R; Yamamoto, N; Kutsumura, N; Nagumo, Y; Irukayama-Tomobe, Y; Ogawa, Y; Ishikawa, Y; Tanimura, R; Yanagisawa, M; Nagase, H Essential structure of orexin 1 receptor antagonist YNT-707, Part IV: The role of D-ring in 4,5-epoxymorphinan on the orexin 1 receptor antagonistic activity. Bioorg Med Chem Lett 29:2655-2658 (2019) [PubMed]  Article 
Target
Name:
Orexin/Hypocretin receptor type 1
Synonyms:
HCRTR1 | Hypocretin receptor type 1 | OX1R_HUMAN | Orexin receptor type 1 | Orexin receptor type 1 (OR 1) | Orexin receptor type 1 (OR-1) | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Orexin receptor type 1 (OxR1) | Ox1r
Type:
Protein
Mol. Mass.:
47554.50
Organism:
Homo sapiens (Human)
Description:
O43613
Residue:
425
Sequence:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
  
Inhibitor
Name:
BDBM50522121
Synonyms:
CHEMBL4448527
Type:
Small organic molecule
Emp. Form.:
C33H38N2O5S
Mol. Mass.:
574.73
SMILES:
[H][C@@]12CC[C@@H](C[C@]1([H])c1cc(OC)ccc1C[C@H]2N(CC1CC1)S(=O)(=O)c1ccccc1)N(C)C(=O)\C=C\c1ccoc1 |r|
Structure:
Search PDB for entries with ligand similarity: