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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 | CHEMBL158859 |
---|---|
Molecular formula | C16H17ClN6 |
IUPAC name | 3-[(2-chlorophenyl)methyl]-N-cyclopentyltriazolo[4,5-d]pyrimidin-7-amine |
Molecular weight | 328.804 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50063215 [3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-cyclopentyl-amine |
Inchi Key | CNQPYIAZJVGLBN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H17ClN6/c17-13-8-4-1-5-11(13)9-23-16-14(21-22-23)15(18-10-19-16)20-12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,18,19,20) |
PubChem CID | 10381887 |
ChEMBL | CHEMBL158859 |
IUPHAR | N/A |
BindingDB | 50063215 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 21.0 nM | PMID9513594 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218