Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM334973
Substrate
n/a
Meas. Tech.
ChEMBL_1879202 (CHEMBL4380596)
Ki
1.6±n/a nM
Citation
 Rappas, M; Ali, AAE; Bennett, KA; Brown, JD; Bucknell, SJ; Congreve, M; Cooke, RM; Cseke, G; de Graaf, C; Doré, AS; Errey, JC; Jazayeri, A; Marshall, FH; Mason, JS; Mould, R; Patel, JC; Tehan, BG; Weir, M; Christopher, JA Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J Med Chem 63:1528-1543 (2020) [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:
BDBM334973
Synonyms:
US11040966, Example 5.36 | US9732075, Example 5.36 | US9914721, Ex. 7 | [(S)-2-(5-Chloro-4-methyl-1H-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C23H23ClN6O2
Mol. Mass.:
450.921
SMILES:
COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1)-n1nccn1
Structure:
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