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Target
Histamine H1 receptor
Ligand
BDBM50079527
Substrate
n/a
Meas. Tech.
ChEMBL_790127 (CHEMBL1926406)
Ki
0.178±n/a nM
Citation
 de Graaf, C; Kooistra, AJ; Vischer, HF; Katritch, V; Kuijer, M; Shiroishi, M; Iwata, S; Shimamura, T; Stevens, RC; de Esch, IJ; Leurs, R Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor. J Med Chem 54:8195-206 (2011) [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:
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