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Name | Adenosine receptor A2a |
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Species | Cavia porcellus (Guinea pig) |
Gene | ADORA2A |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 409 |
Amino acid sequence | MSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS |
UniProt | P46616 |
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 | CHEMBL2605 |
IUPHAR | N/A |
DrugBank | N/A |
Name | BW A533U |
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Molecular formula | C14H12N4O4 |
IUPAC name | 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid |
Molecular weight | 300.274 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.7 |
Synonyms | BW-A-533U AC1L35UK DTXSID50235183 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid BW A-533U [ Show all ] |
Inchi Key | VOGIMZNURUXDIJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21) |
PubChem CID | 135109 |
ChEMBL | CHEMBL11048 |
IUPHAR | N/A |
BindingDB | 50018159 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2500.0 nM | PMID2984420 | BindingDB,ChEMBL |
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