Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50162957
Substrate
n/a
Meas. Tech.
ChEMBL_303185 (CHEMBL829679)
Ki
0.52±n/a nM
Citation
 Fernández, J; Alonso, JM; Andrés, JI; Cid, JM; Díaz, A; Iturrino, L; Gil, P; Megens, A; Sipido, VK; Trabanco, AA Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents. J Med Chem 48:1709-12 (2005) [PubMed]  Article 
Target
Name:
Histamine H1 receptor
Synonyms:
H1R | HH1R | HISTAMINE H1 | HRH1 | HRH1_HUMAN
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
55808.72
Organism:
Homo sapiens (Human)
Description:
Cell pellets from SK-N-MC cells transfected with human H1 receptor were used in binding assay.
Residue:
487
Sequence:
MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
  
Inhibitor
Name:
BDBM50162957
Synonyms:
(11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine | CHEMBL193639
Type:
Small organic molecule
Emp. Form.:
C19H20FNOS
Mol. Mass.:
329.432
SMILES:
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Structure:
Search PDB for entries with ligand similarity: