Reaction Details Report a problem with these data
Target
Histamine H2 receptor
Ligand
BDBM50509073
Substrate
n/a
Meas. Tech.
ChEMBL_1837259 (CHEMBL4337392)
Ki
562±n/a nM
Citation
 Bartole, E; Littmann, T; Tanaka, M; Ozawa, T; Buschauer, A; Bernhardt, G [ J Med Chem 62:8338-8356 (2019) [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:
BDBM50509073
Synonyms:
CHEMBL4466349
Type:
Small organic molecule
Emp. Form.:
C20H28F6N6O4S
Mol. Mass.:
562.53
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1
Structure:
Search PDB for entries with ligand similarity: