Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A1
LigandBDBM50080292
Substrate/Competitorn/a
Meas. Tech.ChEMBL_27911 (CHEMBL642159)
Ki 25±n/a nM
Citation Campbell, RMCartwright, CChen, WChen, YDuzic, EFu, JMLoveland, MManning, RMcKibben, BPleiman, CMSilverman, LTrueheart, JWebb, DRWilkinson, VWitter, DJXie, XCastelhano, AL Selective A1-adenosine receptor antagonists identified using yeast Saccharomyces cerevisiae functional assays. Bioorg Med Chem Lett9:2413-8 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A1
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:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50080292
n/a
NameBDBM50080292
Synonyms:4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol | CHEMBL78595
TypeSmall organic molecule
Emp. Form.C20H24N4O
Mol. Mass.336.4308
SMILESCc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: