Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50214409
Substrate
n/a
Meas. Tech.
ChEMBL_439029 (CHEMBL889375)
Kd
100±n/a nM
Citation
 Vendrell, M; Angulo, E; Casadó, V; Lluis, C; Franco, R; Albericio, F; Royo, M Novel ergopeptides as dual ligands for adenosine and dopamine receptors. J Med Chem 50:3062-9 (2007) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50214409
Synonyms:
(6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide | CHEMBL225368
Type:
Small organic molecule
Emp. Form.:
C39H41N7O6
Mol. Mass.:
703.7861
SMILES:
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O |c:37|
Structure:
Search PDB for entries with ligand similarity: