Reaction Details Report a problem with these data
Target
Histamine H3 receptor
Ligand
BDBM438117
Substrate
n/a
Meas. Tech.
[35S]-GTPgamma-delta binding assay (antagonist)
IC50
52.5±n/a nM
Citation
 Xiang, J; Xu, X; Feng, Y; Eng, W Compounds as neuronal histamine receptor-3 antagonists and uses thereof US Patent  US10618886 Publication Date 4/14/2020 
Target
Name:
Histamine H3 receptor
Synonyms:
G-protein coupled receptor 97 | GPCR97 | HH3R | HISTAMINE H3 | HRH3 | HRH3_HUMAN | Histamine H3 receptor (H3) | Histamine H3L | Histamine receptor (H3 and H4)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
48691.47
Organism:
Homo sapiens (Human)
Description:
Binding assays were using CHO cells stably expressing hH3R receptors.
Residue:
445
Sequence:
MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
  
Inhibitor
Name:
BDBM438117
Synonyms:
US10618886, Compound X | US10730853, Compound X | US11420955, Compound X
Type:
Small organic molecule
Emp. Form.:
C24H28F5N3O3S
Mol. Mass.:
533.554
SMILES:
COc1cc(OCCCN2CCC[C@H]2C)ccc1-n1c(C)nc2ccc(cc2c1=O)S(F)(F)(F)(F)F |r,wD:13.14,(.78,-31.19,;-.55,-30.42,;-.55,-28.88,;.78,-28.11,;.78,-26.57,;2.12,-25.8,;3.45,-26.57,;4.78,-25.8,;6.12,-26.57,;7.45,-25.8,;8.86,-26.43,;9.89,-25.28,;9.12,-23.95,;7.61,-24.27,;6.47,-23.24,;-.55,-25.8,;-1.89,-26.57,;-1.89,-28.11,;-3.22,-28.88,;-3.22,-30.42,;-1.89,-31.19,;-4.55,-31.19,;-5.89,-30.42,;-7.22,-31.19,;-8.55,-30.42,;-8.55,-28.88,;-7.22,-28.11,;-5.89,-28.88,;-4.55,-28.11,;-4.55,-26.57,;-9.89,-28.11,;-11.22,-28.88,;-9.89,-26.57,;-9.89,-29.65,;-8.55,-27.34,;-11.22,-27.34,)|
Structure:
Search PDB for entries with ligand similarity: