Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50588459
Substrate
n/a
Meas. Tech.
ChEMBL_2187193 (CHEMBL5099275)
Kd
112±n/a nM
Citation
 Preti, B; Suchankova, A; Deganutti, G; Leuenberger, M; Barkan, K; Manulak, I; Huang, X; Carvalho, S; Ladds, G; Lochner, M Discovery and Structure-Activity Relationship Studies of Novel Adenosine A J Med Chem 65:14864-14890 (2022) [PubMed] 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50588459
Synonyms:
CHEMBL5188601
Type:
Small organic molecule
Emp. Form.:
C27H36N6O5
Mol. Mass.:
524.6119
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(cc3)C(C)(C)C)ncnc12 |r|
Structure:
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