Reaction Details Report a problem with these data
Target
Histamine H2 receptor
Ligand
BDBM50586683
Substrate
n/a
Meas. Tech.
ChEMBL_2169496 (CHEMBL5054555)
Ki
30±n/a nM
Citation
 Tropmann, K; Seibel-Ehlert, U; Littmann, T; Strasser, A Shining light on the histamine H Bioorg Med Chem Lett 52:0 (2021) [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:
BDBM50586683
Synonyms:
CHEMBL5078202
Type:
Small organic molecule
Emp. Form.:
C50H61BF8N10O8S2
Mol. Mass.:
1157.01
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:60,62,t:57|
Structure:
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