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Target
Histamine H1 receptor
Ligand
BDBM50250803
Substrate
n/a
Meas. Tech.
ChEMBL_1895353 (CHEMBL4397388)
Ki
40±n/a nM
Citation
 Reilly, SW; Riad, AA; Hsieh, CJ; Sahlholm, K; Jacome, DA; Griffin, S; Taylor, M; Weng, CC; Xu, K; Kirschner, N; Luedtke, RR; Parry, C; Malhotra, S; Karanicolas, J; Mach, RH Leveraging a Low-Affinity Diazaspiro Orthosteric Fragment to Reduce Dopamine D J Med Chem 62:5132-5147 (2019) [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:
BDBM50250803
Synonyms:
CHEMBL4083252
Type:
Small organic molecule
Emp. Form.:
C23H29N5OS
Mol. Mass.:
423.574
SMILES:
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Structure:
Search PDB for entries with ligand similarity: