Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM79883
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1)
IC50
24528±n/a nM
Citation
 PubChem, PC Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1) PubChem Bioassay (2011)[AID] 
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:
BDBM79883
Synonyms:
4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}thio)-2,5-dioxopyrrolidin-1-yl]benzoic acid | 4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid | 4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid | 4-[3-[[1,3-benzodioxol-5-ylmethylimino-(4-fluoroanilino)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid | 4-[3-[[N-(4-fluorophenyl)-N'-piperonyl-amidino]thio]-2,5-diketo-pyrrolidino]benzoic acid | MLS000682083 | SMR000313486 | cid_3897375
Type:
Small organic molecule
Emp. Form.:
C26H20FN3O6S
Mol. Mass.:
521.517
SMILES:
OC(=O)c1ccc(cc1)-n1c(O)cc(SC(NCc2ccc3OCOc3c2)=Nc2ccc(F)cc2)c1O |w:27.30|
Structure:
Search PDB for entries with ligand similarity: