Reaction Details
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Target
Adenosine receptor A1
Ligand
BDBM50088422
Substrate
n/a
Meas. Tech.
ChEMBL_29131 (CHEMBL637553)
Ki
19±n/a nM
Citation

More Info.:
Target
Name:
Adenosine receptor A1
Synonyms:
ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | AA1R_BOVIN | ADORA1 | Adenosine A1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36602.99
Organism:
Bovine
Description:
ADENOSINE 0 BOVINE::P28190
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
Inhibitor
Name:
BDBM50088422
Synonyms:
(2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | 2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | CHEMBL66393
Type:
Small organic molecule
Emp. Form.:
C17H18IN5O4
Mol. Mass.:
483.27
SMILES:
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O