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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 | CHEMBL209061 |
---|---|
Molecular formula | C30H24N6O3 |
IUPAC name | N-[6-amino-2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-2,2-diphenylacetamide |
Molecular weight | 516.561 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50189803 6-amino-1,2-dihydro-2-(methoxyphenyl)-4-diphenylacetamido-1,2,4-triazolo[4,3-a]quinoxalin-1-one |
Inchi Key | CLKIIDANGTWZHY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H24N6O3/c1-39-22-17-15-21(16-18-22)36-30(38)35-24-14-8-13-23(31)26(24)32-27(28(35)34-36)33-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,31H2,1H3,(H,32,33,37) |
PubChem CID | 11569849 |
ChEMBL | CHEMBL209061 |
IUPHAR | N/A |
BindingDB | 50189803 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 77.5 nM | PMID16789747 | BindingDB,ChEMBL |
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