Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50079527
Substrate
n/a
Meas. Tech.
ChEMBL_1624854 (CHEMBL3867266)
Ki
0.251189±n/a nM
Citation
 Kuhne, S; Kooistra, AJ; Bosma, R; Bortolato, A; Wijtmans, M; Vischer, HF; Mason, JS; de Graaf, C; de Esch, IJ; Leurs, R Identification of Ligand Binding Hot Spots of the Histamine H J Med Chem 59:9047-9061 (2016) [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:
BDBM50079527
Synonyms:
(3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine | CHEMBL101740 | DOXEPIN | cis-doxepin
Type:
Small organic molecule
Emp. Form.:
C19H21NO
Mol. Mass.:
279.3761
SMILES:
CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Structure:
Search PDB for entries with ligand similarity: