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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 | CHEMBL95384 |
---|---|
Molecular formula | C15H11FN2O |
IUPAC name | 2-(2-fluorophenyl)-7-methyl-1H-1,8-naphthyridin-4-one |
Molecular weight | 254.264 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol BDBM50090690 ZINC13579519 2-(2-Fluorophenyl)-7-methyl-1,8-naphthyridine-4-ol |
Inchi Key | AXHXSGOIYWBQTM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19) |
PubChem CID | 10538858 |
ChEMBL | CHEMBL95384 |
IUPHAR | N/A |
BindingDB | 50090690 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 11.0 nM | PMID10956189, PMID15163184 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417