Target
Histamine H1 receptor
Ligand
BDBM50545596
Substrate
n/a
Meas. Tech.
ChEMBL_1996091 (CHEMBL4629986)
Kd
>1000±n/a nM
Citation
 Lall, MSBassyouni, ABradow, JBrown, MBundesmann, MChen, JCiszewski, GHagen, AEHyek, DJenkinson, SLiu, BObach, RSPan, SReilly, USach, NSmaltz, DJSpracklin, DKStarr, JWagenaar, MWalker, GS Late-Stage Lead Diversification Coupled with Quantitative Nuclear Magnetic Resonance Spectroscopy to Identify New Structure-Activity Relationship Vectors at Nanomole-Scale Synthesis: Application to Loratadine, a Human Histamine H J Med Chem 63:7268-7292 (2020) [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:
BDBM50545596
Synonyms:
CHEMBL4633111
Type:
Small organic molecule
Emp. Form.:
C22H21ClN2O3
Mol. Mass.:
396.867
SMILES:
CCOC(=O)N1CC\C(C=C1)=C1/c2ccc(Cl)cc2CCc2cc(O)cnc12 |c:9|
Structure:
Search PDB for entries with ligand similarity: