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Name | Adenosine receptor A2a |
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Species | Rattus norvegicus (Rat) |
Gene | Adora2a |
Synonym | A2-AR A2A receptor adenosine receptor A2a RDC8 |
Disease | N/A for non-human GPCRs |
Length | 410 |
Amino acid sequence | MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS |
UniProt | P30543 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL302 |
IUPHAR | 19 |
DrugBank | N/A |
Name | CHEMBL286739 |
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Molecular formula | C13H16ClN5O3 |
IUPAC name | (1R,2R,3S,4R,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol |
Molecular weight | 325.753 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 0.2 |
Synonyms | N-Methyl-2-chloro-9-[(1beta)-3alpha,4alpha-dihydroxy-5beta-(hydroxymethyl)bicyclo[3.1.0]hexane-2beta-yl]-9H-purine-6-amine (1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol BDBM50100425 |
Inchi Key | FPCPEWCTMNCASH-XEMBYONJSA-N |
Inchi ID | InChI=1S/C13H16ClN5O3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,3-20)9(22)8(7)21/h4-5,7-9,20-22H,2-3H2,1H3,(H,15,17,18)/t5-,7-,8+,9+,13+/m1/s1 |
PubChem CID | 44276349 |
ChEMBL | CHEMBL286739 |
IUPHAR | N/A |
BindingDB | 50100425 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Displacement | >10.0 % | PMID11392549 | ChEMBL |
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