Reaction Details Report a problem with these data
Target
Histamine H3 receptor
Ligand
BDBM50419448
Substrate
n/a
Meas. Tech.
ChEMBL_789899 (CHEMBL1925206)
Ki
1.02±n/a nM
Citation
 Istyastono, EP; Nijmeijer, S; Lim, HD; van de Stolpe, A; Roumen, L; Kooistra, AJ; Vischer, HF; de Esch, IJ; Leurs, R; de Graaf, C Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies. J Med Chem 54:8136-47 (2011) [PubMed]  Article 
Target
Name:
Histamine H3 receptor
Synonyms:
G-protein coupled receptor 97 | GPCR97 | HH3R | HISTAMINE H3 | HRH3 | HRH3_HUMAN | Histamine H3 receptor (H3) | Histamine H3L | Histamine receptor (H3 and H4)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
48691.47
Organism:
Homo sapiens (Human)
Description:
Binding assays were using CHO cells stably expressing hH3R receptors.
Residue:
445
Sequence:
MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
  
Inhibitor
Name:
BDBM50419448
Synonyms:
CHEMBL1923026
Type:
Small organic molecule
Emp. Form.:
C20H26Cl2N4S
Mol. Mass.:
425.418
SMILES:
Clc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1Cl |w:17.18|
Structure:
Search PDB for entries with ligand similarity: