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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 | CHEMBL144799 |
---|---|
Molecular formula | C22H27ClN4O3 |
IUPAC name | ethyl 4-(butylamino)-1-(2-chloro-3-phenoxypropyl)pyrazolo[3,4-b]pyridine-5-carboxylate |
Molecular weight | 430.933 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50120448 4-Butylamino-1-(2-chloro-3-phenoxy-propyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester |
Inchi Key | BVNPWCKOPYUPOU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H27ClN4O3/c1-3-5-11-24-20-18-13-26-27(21(18)25-12-19(20)22(28)29-4-2)14-16(23)15-30-17-9-7-6-8-10-17/h6-10,12-13,16H,3-5,11,14-15H2,1-2H3,(H,24,25) |
PubChem CID | 10862925 |
ChEMBL | CHEMBL144799 |
IUPHAR | N/A |
BindingDB | 50120448 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1219.0 nM | PMID12383013 | BindingDB,ChEMBL |
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