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Name | Adenosine receptor A1 |
---|---|
Species | Bos taurus (Bovine) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD |
UniProt | P28190 |
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 | CHEMBL4975 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL161711 |
---|---|
Molecular formula | C17H19ClN6 |
IUPAC name | 3-[(2-chlorophenyl)methyl]-N-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine |
Molecular weight | 342.831 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 3-[(2-chlorophenyl)methyl]-N-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine BDBM50063204 [3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-cyclohexyl-amine AC1LRY8P |
Inchi Key | BYSSVQNLTAZSFM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H19ClN6/c18-14-9-5-4-6-12(14)10-24-17-15(22-23-24)16(19-11-20-17)21-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21) |
PubChem CID | 1455333 |
ChEMBL | CHEMBL161711 |
IUPHAR | N/A |
BindingDB | 50063204 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 43.0 nM | PMID9513594 | BindingDB,ChEMBL |
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