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Target
Histamine H1 receptor
Ligand
BDBM50281818
Substrate
n/a
Meas. Tech.
ChEMBL_1722915 (CHEMBL4137915)
Ki
44±n/a nM
Citation
 Weiss, DR; Karpiak, J; Huang, XP; Sassano, MF; Lyu, J; Roth, BL; Shoichet, BK Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets. J Med Chem 61:6830-6845 (2018) [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:
BDBM50281818
Synonyms:
CHEMBL3461530
Type:
Small organic molecule
Emp. Form.:
C19H27N5O
Mol. Mass.:
341.4506
SMILES:
Cc1[nH]ncc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1
Structure:
Search PDB for entries with ligand similarity: