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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 | CHEMBL112756 |
---|---|
Molecular formula | C21H14N4O |
IUPAC name | 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one |
Molecular weight | 338.37 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | 3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one BDBM50102282 3,10-Diphenyl[1,2,4]triazino[4,3-a]benzimidazole-4(10H)-one |
Inchi Key | BFVHCJSDSWWYEY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H |
PubChem CID | 10449783 |
ChEMBL | CHEMBL112756 |
IUPHAR | N/A |
BindingDB | 50102282 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
GTPshift | 1.0 - | PMID11462973 | ChEMBL |
Ki | 18.0 nM | PMID20937560, PMID11462973 | BindingDB,ChEMBL |
Ki | 24.7 nM | PMID11462973 | BindingDB,ChEMBL |
Ki | 25.0 nM | PMID11462973 | BindingDB,ChEMBL |
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