Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50258736
Substrate
n/a
Meas. Tech.
ChEMBL_499867 (CHEMBL976199)
Ki
2240±n/a nM
Citation
 Fernández, F; Caamaño, O; Isabel Nieto, M; López, C; García-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A 1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships. Bioorg Med Chem 17:3618-29 (2009) [PubMed]  Article 
Target
Name:
Adenosine receptor A2a
Synonyms:
A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44716.46
Organism:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM50258736
Synonyms:
CHEMBL467270 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C24H26N4O4S
Mol. Mass.:
466.553
SMILES:
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1
Structure:
Search PDB for entries with ligand similarity: