Reaction Details Report a problem with these data
Target
Histamine H2 receptor
Ligand
BDBM50500120
Substrate
n/a
Meas. Tech.
ChEMBL_1546521 (CHEMBL3749024)
IC50
<10000±n/a nM
Citation
 Tosh, DK; Paoletta, S; Chen, Z; Crane, S; Lloyd, J; Gao, ZG; Gizewski, ET; Auchampach, JA; Salvemini, D; Jacobson, KA Structure-Based Design, Synthesis by Click Chemistry and  Medchemcomm 6:555-563[PubMed]  Article 
Target
Name:
Histamine H2 receptor
Synonyms:
Gastric receptor I | H2R | HISTAMINE H2 | HRH2 | HRH2_HUMAN | Histamine H2 receptor | Histamine H2-Gs alpha S
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40115.31
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
359
Sequence:
MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
  
Inhibitor
Name:
BDBM50500120
Synonyms:
CHEMBL3747276
Type:
Small organic molecule
Emp. Form.:
C20H21N9O4
Mol. Mass.:
451.4386
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1)C(=O)NC |r|
Structure:
Search PDB for entries with ligand similarity: