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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 | CHEMBL195522 |
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Molecular formula | C17H14ClN3O2 |
IUPAC name | N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide |
Molecular weight | 327.768 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | N-(4-chlorobenzyl)-4-hydroxy-7-methyl[1,8]naphthyridine-3-carboxamide 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide 1,8-Naphthyridine-3-carboxamide, N-[(4-chlorophenyl)methyl]-4-hydroxy-7-methyl- N-[(4-chlorophenyl)methyl]-4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxamide BCPIVBRTJNYLEK-UHFFFAOYSA-N [ Show all ] |
Inchi Key | BCPIVBRTJNYLEK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) |
PubChem CID | 9945283 |
ChEMBL | CHEMBL195522 |
IUPHAR | N/A |
BindingDB | 50171783 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1740.0 nM | PMID16099648 | BindingDB,ChEMBL |
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